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

C31H24FNO3 — CID 134997577

IUPAC(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
SMILESO=C(C[C@H](c1ccc(F)cc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C31H24FNO3/c32-26-18-16-23(17-19-26)27(20-28(34)24-12-6-2-7-13-24)31(21-22-10-4-1-5-11-22)30(35)36-29(33-31)25-14-8-3-9-15-25/h1-19,27H,20-21H2/t27-,31-/m1/s1
InChIKeyBOOUJZNORFZPDH-DLFZDVPBSA-N
MW477.54 g/mol
LogP6.17
Rot. Bonds8

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

(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 134997577) has the molecular formula C31H24FNO3 and a molecular weight of 477.54 g/mol. Its IUPAC name is (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID134997577
Molecular FormulaC31H24FNO3
Molecular Weight477.54 g/mol
Exact Mass477.17
IUPAC Name(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
SMILESO=C(C[C@H](c1ccc(F)cc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C31H24FNO3/c32-26-18-16-23(17-19-26)27(20-28(34)24-12-6-2-7-13-24)31(21-22-10-4-1-5-11-22)30(35)36-29(33-31)25-14-8-3-9-15-25/h1-19,27H,20-21H2/t27-,31-/m1/s1
InChIKeyBOOUJZNORFZPDH-DLFZDVPBSA-N
XLogP6.17
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one with MolForge

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Related Compounds

(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
CID 135006221
(4R)-4-benzyl-4-[(1R)-1-(3,4-dichlorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 134998318
methyl (3R)-3-[(4S)-4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylpropanoate
CID 122221428
(4R)-4-benzyl-2-phenyl-4-[(1S)-4,4,4-trichloro-3-oxo-1-phenylbutyl]-1,3-oxazol-5-one
CID 122221427
(3R)-4,4-bis(benzenesulfonyl)-3-(4-fluorophenyl)-1-phenylbutan-1-one
CID 132524867
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
methyl (4S)-4-[(4-fluorophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11313008
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
CID 54562596
4-benzyl-2-phenyl-4-(2-trimethylsilylethynyl)-1,3-oxazol-5-one
CID 102232575
benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 12000243
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one (CID 134997577) is (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one is O=C(C[C@H](c1ccc(F)cc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BOOUJZNORFZPDH-DLFZDVPBSA-N. The full InChI is InChI=1S/C31H24FNO3/c32-26-18-16-23(17-19-26)27(20-28(34)24-12-6-2-7-13-24)31(21-22-10-4-1-5-11-22)30(35)36-29(33-31)25-14-8-3-9-15-25/h1-19,27H,20-21H2/t27-,31-/m1/s1.
What are the key properties of (4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 477.54 g/mol, XLogP of 6.17, 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)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 134997577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).