CAS 148461-14-7|CAS 164858-78-0|(4R)-2-[2-(diphenylphosphanyl)phenyl]-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole|(-)(4S)-2-[2-(Diphenylphosphino)phenyl]-4-(2-propyl)oxazoline 97%|(4R)-2-[2-(diphenylpho...

General Information

Structure

Molecular Formula

C₂₄H₂₄NOP

Molecular Mass

373.427221

Exact Mass

373.15955102

Charge

InChI

InChI=1S/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m0/s1

InChIKey

OUQSAXROROGQEE-QFIPXVFZSA-N

Canonic Smiles

CC([C@@H]1COC(=N1)c1ccccc1P(c1ccccc1)c1ccccc1)C

Isomeric Smiles

N1=C(c2c(cccc2)P(c2ccccc2)c2ccccc2)OC[C@H]1C(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.0686517

LogD (pH = 7.4)

6.0795593

Log P

6.0797

Molar Refractivity

112.3163

Polarizability

44.00227

Polar Surface Area

21.59

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(4R)-2-[2-(diphenylphosphanyl)phenyl]-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole

Synonyms

(-)(4S)-2-[2-(Diphenylphosphino)phenyl]-4-(2-propyl)oxazoline 97%(R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4-isopropyl-oxazole(R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline(R)-(+)-2-[2-(二苯基膦)苯基]-4,5-二氢-4-异丙基-噁唑(R)-(+)-2-[2-(二苯基膦)苯基]-4-异丙基-2-噁唑啉

IUPAC Traditional name

(4R)-2-[2-(diphenylphosphanyl)phenyl]-4-isopropyl-4,5-dihydro-1,3-oxazole

Names and Identifiers

Registration numbers

MDL Number

MFCD03427599MFCD02684553

CAS Number

148461-14-7164858-78-0

PubChem CID

2734144

Beilstein Number

8156604