(4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole

Catalog Number	ACM944836037
CAS	944836-03-7
Synonyms	(4S)-2-[2-(Diphenylphosphino)Phenyl]-4beta-(1-Adamantyl)-2-Oxazoline
IUPAC Name	[2-[(4S)-4-(1-adamantyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Molecular Weight	465.57
Molecular Formula	C31H32NOP
InChI	MEPKGLWQSSBJES-JVEIEMHESA-N
InChI Key	InChI=1S/C31H32NOP/c1-3-9-25(10-4-1)34(26-11-5-2-6-12-26)28-14-8-7-13-27(28)30-32-29(21-33-30)31-18-22-15-23(19-31)17-24(16-22)20-31/h1-14,22-24,29H,15-21H2/t22?,23?,24?,29-,31?/m1/s1
Boiling Point	586.9±33.0 °C(Predicted)
Melting Point	163-164 °C
Purity	98%
Isomeric SMILES	C1[C@@H](N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6
pKa	4.25±0.70(Predicted)

Q&A

What is the IUPAC name of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

[2-[(4S)-4-(1-adamantyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane

What is the exact mass of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

465.22215164

What is the molecular formula of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

C31H32NOP

How many hydrogen bond acceptors are present in (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

2

What is the Canonical SMILES of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

C1C2CC3CC1CC(C2)(C3)C4COC(=N4)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7

How many rotatable bonds are present in (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

5

What is the XLogP3 value of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

7.1

What is the Monoisotopic Mass of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

465.22215164

What is the CAS number of (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

944836-03-7

How many defined atom stereocenters are present in (4S)-4-(Adamantan-1-yl)-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole?

1