(S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole

Catalog Number	ACM1362386024
CAS	1362386-02-4
Structure
Synonyms	[2-[(4S)-4-Tert-butyl-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
IUPAC Name	[2-[(4S)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Molecular Weight	539.65
Molecular Formula	C37H34NOP
InChI	DTAFKIBAGPGWHR-DHUJRADRSA-N
InChI Key	InChI=1S/C37H34NOP/c1-36(2,3)35-37(28-18-8-4-9-19-28,29-20-10-5-11-21-29)39-34(38-35)32-26-16-17-27-33(32)40(30-22-12-6-13-23-30)31-24-14-7-15-25-31/h4-27,35H,1-3H3/t35-/m0/s1
Purity	98%
Isomeric SMILES	CC(C)(C)[C@H]1C(OC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Q&A

What is the IUPAC name of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The IUPAC name of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is [2-[(4S)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

What is the molecular formula of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The molecular formula of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is C37H34NOP.

What is the molecular weight of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The molecular weight of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is 539.6g/mol.

What is the exact mass of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The exact mass of (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is 539.23780171.

How many hydrogen bond donor counts does (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole have?

The compound has 0 hydrogen bond donor count.

What is the canonical SMILES for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The canonical SMILES for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is CC(C)(C)C1C(OC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.

How many heavy atom counts does (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole have?

The compound has 40 heavy atom counts.

What is the XLogP3 value for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The XLogP3 value for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is 8.9.

What is the computed properties rotatable bond count for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The computed properties rotatable bond count for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is 7.

What is the InChIKey for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole?

The InChIKey for (S)-4-(tert-Butyl)-2-(2-(diphenylphosphanyl)phenyl)-5,5-diphenyl-4,5-dihydrooxazole is DTAFKIBAGPGWHR-DHUJRADRSA-N.