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

C24H30NOP — CID 149052381

IUPAC[2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
SMILESCCC(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H30NOP/c1-3-18(2)22-17-26-24(25-22)21-15-10-16-23(21)27(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-23H,3,10,15-17H2,1-2H3/t18?,21?,22-,23?/m1/s1
InChIKeyNJMHKGTWXJFAPG-QWHBUMBVSA-N
MW379.48 g/mol
LogP5.13
Rot. Bonds6

About [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane

[2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane (PubChem CID 149052381) has the molecular formula C24H30NOP and a molecular weight of 379.48 g/mol. Its IUPAC name is [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
PubChem CID149052381
Molecular FormulaC24H30NOP
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name[2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
SMILESCCC(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H30NOP/c1-3-18(2)22-17-26-24(25-22)21-15-10-16-23(21)27(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-23H,3,10,15-17H2,1-2H3/t18?,21?,22-,23?/m1/s1
InChIKeyNJMHKGTWXJFAPG-QWHBUMBVSA-N
XLogP5.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.13
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
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 89264372
[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
(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 [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane (CID 149052381) is [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane is CCC(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The InChIKey is NJMHKGTWXJFAPG-QWHBUMBVSA-N. The full InChI is InChI=1S/C24H30NOP/c1-3-18(2)22-17-26-24(25-22)21-15-10-16-23(21)27(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-23H,3,10,15-17H2,1-2H3/t18?,21?,22-,23?/m1/s1.
What are the key properties of [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
[2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane has a molecular weight of 379.48 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane is sourced from PubChem (CID 149052381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).