(4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one

C31H25NO3 — CID 102198566

IUPAC(4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one
SMILESO=C(C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C31H25NO3/c33-28(25-17-9-3-10-18-25)21-27(24-15-7-2-8-16-24)31(22-23-13-5-1-6-14-23)30(34)35-29(32-31)26-19-11-4-12-20-26/h1-20,27H,21-22H2/t27-,31-/m1/s1
InChIKeyUVTSTCLMMDCXLP-DLFZDVPBSA-N
MW459.55 g/mol
LogP6.03
Rot. Bonds8

About (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one

(4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 102198566) has the molecular formula C31H25NO3 and a molecular weight of 459.55 g/mol. Its IUPAC name is (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID102198566
Molecular FormulaC31H25NO3
Molecular Weight459.55 g/mol
Exact Mass459.18
IUPAC Name(4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one
SMILESO=C(C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C31H25NO3/c33-28(25-17-9-3-10-18-25)21-27(24-15-7-2-8-16-24)31(22-23-13-5-1-6-14-23)30(34)35-29(32-31)26-19-11-4-12-20-26/h1-20,27H,21-22H2/t27-,31-/m1/s1
InChIKeyUVTSTCLMMDCXLP-DLFZDVPBSA-N
XLogP6.03
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
(NZ)-N-(1,12-dioxo-3-phenyl-2-oxa-4-azatrispiro[4.0.5^{6}.2.5^{14}.0^{5}]nonadec-3-en-13-ylidene)benzamide
CID 353729
(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 134997577
(4R)-4-benzyl-4-[(1R)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 135006237
(4R)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 56974588
(4S)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 57166581
tert-butyl (2R,3S)-2-(benzhydrylideneamino)-5-oxo-3,5-diphenylpentanoate
CID 101779173
5(4H)-Oxazolone, 2-phenyl-4,4-bis(phenylmethyl)-
CID 11244749
4-Benzyl-2,4-diphenyl-1,3-oxazol-5-one
CID 11416170
(4S)-4-benzyl-4-[(1R)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 15342898
2,6-Diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
CID 15384238

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one (CID 102198566) is (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one is O=C(C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is UVTSTCLMMDCXLP-DLFZDVPBSA-N. The full InChI is InChI=1S/C31H25NO3/c33-28(25-17-9-3-10-18-25)21-27(24-15-7-2-8-16-24)31(22-23-13-5-1-6-14-23)30(34)35-29(32-31)26-19-11-4-12-20-26/h1-20,27H,21-22H2/t27-,31-/m1/s1.
What are the key properties of (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 459.55 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 102198566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).