diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane

C23H28NOP — CID 89264372

IUPACdiphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
SMILESCC(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H28NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22H,9,14-16H2,1-2H3/t20?,21-,22?/m1/s1
InChIKeyRKOBLTQPGMADLU-ATKRNPRHSA-N
MW365.46 g/mol
LogP4.74
Rot. Bonds5

About diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane

diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane (PubChem CID 89264372) has the molecular formula C23H28NOP and a molecular weight of 365.46 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
PubChem CID89264372
Molecular FormulaC23H28NOP
Molecular Weight365.46 g/mol
Exact Mass365.19
IUPAC Namediphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
SMILESCC(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H28NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22H,9,14-16H2,1-2H3/t20?,21-,22?/m1/s1
InChIKeyRKOBLTQPGMADLU-ATKRNPRHSA-N
XLogP4.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-2-(diphenylphosphino)ferrocene
CID 72376438
CID 134991860
CID 134991860
2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
CID 9927860
(S)-4-(tert-Butyl)-2-(1-(diphenylphosphanyl)-2-methylpropan-2-yl)-4,5-dihydrooxazole
CID 58510233
[2-(4-Propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane
CID 58644964
[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 89867606
CID 72376439
CID 72376439
[(1R)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-diphenylphosphane
CID 101731991
(S)-2-(2-(Diphenylphosphino)benzyl)-4-isopropyl-4,5-dihydrooxazole
CID 135006715
carbanide;diphenyl-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phosphanium;iridium
CID 135085548
(R)-methyl-[(1S)-2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-(2,4,6-trimethylphenyl)phosphane
CID 139111981
[(1S,2R)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-diphenylphosphane
CID 164669040

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane?
The IUPAC name of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane (CID 89264372) is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane?
The canonical SMILES for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane is CC(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane?
The InChIKey is RKOBLTQPGMADLU-ATKRNPRHSA-N. The full InChI is InChI=1S/C23H28NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22H,9,14-16H2,1-2H3/t20?,21-,22?/m1/s1.
What are the key properties of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane?
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane has a molecular weight of 365.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane is sourced from PubChem (CID 89264372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).