(S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

Catalog Number	ACM148461136
CAS	148461-13-6
Structure
Synonyms	[2-[(4S)-4-Benzyl-4,5-Dihydro-1,3-Oxazol-2-Yl]Phenyl]-Diphenylphosphane; (S)-Bn-PHOX
IUPAC Name	[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Molecular Weight	421.47
Molecular Formula	C28H24NOP
InChI	PXKBZZCPBWBSKT-QHCPKHFHSA-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/t23-/m0/s1
Boiling Point	561.5±33.0 °C(Predicted)
Purity	98%
Isomeric SMILES	C1[C@@H](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 molecular formula of (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

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

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

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

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

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

What is the IUPAC Name of (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

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

How many hydrogen bond acceptor count does (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole have?

The compound has 2 hydrogen bond acceptor count.

How many heavy atoms are present in (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The compound contains 31 heavy atoms.

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

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

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

The Canonical SMILES representation of (S)-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 computed properties complexity value of (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The computed properties complexity value of (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is 556.

What is the InChI key of (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole?

The InChI key of (S)-4-Benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is PXKBZZCPBWBSKT-QHCPKHFHSA-N.