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

C25H21NO3 — CID 71615045

IUPAC(4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1([C@H](CC(=O)c2ccccc2)c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C25H21NO3/c1-25(24(28)29-23(26-25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)17-22(27)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3/t21-,25-/m1/s1
InChIKeyYXACKAGUIXSYIA-PXDATVDWSA-N
MW383.45 g/mol
LogP4.81
Rot. Bonds6

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

(4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 71615045) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID71615045
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name(4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1([C@H](CC(=O)c2ccccc2)c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C25H21NO3/c1-25(24(28)29-23(26-25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)17-22(27)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3/t21-,25-/m1/s1
InChIKeyYXACKAGUIXSYIA-PXDATVDWSA-N
XLogP4.81
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
(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
5(4H)-Oxazolone, 4-methyl-2,4-diphenyl-
CID 10999497
(4R)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 56974588
(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one
CID 57160608
(4S)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 57166581

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one (CID 71615045) is (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one is C[C@]1([C@H](CC(=O)c2ccccc2)c2ccccc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is YXACKAGUIXSYIA-PXDATVDWSA-N. The full InChI is InChI=1S/C25H21NO3/c1-25(24(28)29-23(26-25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)17-22(27)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3/t21-,25-/m1/s1.
What are the key properties of (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 383.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 71615045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).