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Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole

Catalog Number ACM1869961761
CAS 1869961-76-1
Synonyms [2-[2-(4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-diphenylphosphane
IUPAC Name [2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-diphenylphosphane
Molecular Weight 463.55
Molecular Formula C31H30NOP
InChI ZYYHZRWBRAULSB-UHFFFAOYSA-N
InChI Key InChI=1S/C31H30NOP/c1-31(2,3)29-22-33-30(32-29)27-20-11-10-18-25(27)26-19-12-13-21-28(26)34(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-21,29H,22H2,1-3H3
Purity 98%
Isomeric SMILES CC(C)(C)C1COC(=N1)C2=CC=CC=C2C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5
Q&A

What is the IUPAC name of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The IUPAC name of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is [2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-diphenylphosphane.

What is the Canonical SMILES of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The Canonical SMILES of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is CC(C)(C)C1COC(=N1)C2=CC=CC=C2C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5.

What is the molecular weight of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The molecular weight of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is 463.5g/mol.

What is the Monoisotopic Mass of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The Monoisotopic Mass of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is 463.206501578.

How many heavy atoms are present in Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

There are 34 heavy atoms present in Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole.

How many rotatable bond counts are there in Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

There are 6 rotatable bond counts in Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole.

What is the XLogP3 value of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The XLogP3 value of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is 7.5.

What is the topological polar surface area of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The topological polar surface area of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is 21.6.

What is the InChI of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The InChI of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is InChI=1S/C31H30NOP/c1-31(2,3)29-22-33-30(32-29)27-20-11-10-18-25(27)26-19-12-13-21-28(26)34(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-21,29H,22H2,1-3H3.

What is the molecular formula of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole?

The molecular formula of Rel-(1R,4S)-4-(tert-butyl)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole is C31H30NOP.

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