(R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

Catalog Number	ACM314020707
CAS	314020-70-7
Structure
Synonyms	(4R)-2-[2-(Diphenylphosphino)Phenyl]-4,5-Dihydro-4-(Phenylmethyl)Oxazole
IUPAC Name	[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
Molecular Weight	421.47
Molecular Formula	C28H24NOP
InChI	PXKBZZCPBWBSKT-UHFFFAOYSA-N
InChI Key	InChI=1S/C28H24NOP/c1-4-12-22(13-5-1)20-23-21-30-28(29-23)26-18-10-11-19-27(26)31(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,23H,20-21H2
Boiling Point	561.5±33.0 °C(Predicted)
Purity	98%
Isomeric SMILES	C1C(N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5
pKa	4.37±0.70(Predicted)

Q&A

What is the IUPAC name of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The IUPAC name of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is [2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

What is the molecular formula of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The molecular formula of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is C28H24NOP.

What is the exact mass of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The exact mass of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is 421.159551387.

How many hydrogen bond acceptor counts are there in the computed properties?

There are 2 hydrogen bond acceptor counts in the computed properties.

What is the Canonical SMILES representation of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The Canonical SMILES representation of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is C1C(N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.

What is the XLogP3 value of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The XLogP3 value of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is 6.1.

What is the molecular weight of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The molecular weight of (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is 421.5 g/mol.

How many rotatable bonds are there in the computed properties?

There are 6 rotatable bonds in the computed properties.

What are some of the depositor-supplied synonyms for (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

Some depositor-supplied synonyms for (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole include CS-0087688, E76911, and (R)-Bn-Phox.

What is the InChIKey for (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The InChIKey for (R)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is PXKBZZCPBWBSKT-HSZRJFAPSA-N.