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

C37H29NO3 — CID 135006221

IUPAC(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
SMILESO=C(C[C@H](c1ccc(-c2ccccc2)cc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C37H29NO3/c39-34(31-17-9-3-10-18-31)25-33(30-23-21-29(22-24-30)28-15-7-2-8-16-28)37(26-27-13-5-1-6-14-27)36(40)41-35(38-37)32-19-11-4-12-20-32/h1-24,33H,25-26H2/t33-,37-/m1/s1
InChIKeyBBUFHUJURRFWKF-PZSMLTKBSA-N
MW535.64 g/mol
LogP7.70
Rot. Bonds9

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

(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 135006221) has the molecular formula C37H29NO3 and a molecular weight of 535.64 g/mol. Its IUPAC name is (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID135006221
Molecular FormulaC37H29NO3
Molecular Weight535.64 g/mol
Exact Mass535.21
IUPAC Name(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
SMILESO=C(C[C@H](c1ccc(-c2ccccc2)cc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C37H29NO3/c39-34(31-17-9-3-10-18-31)25-33(30-23-21-29(22-24-30)28-15-7-2-8-16-28)37(26-27-13-5-1-6-14-27)36(40)41-35(38-37)32-19-11-4-12-20-32/h1-24,33H,25-26H2/t33-,37-/m1/s1
InChIKeyBBUFHUJURRFWKF-PZSMLTKBSA-N
XLogP7.70
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(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)-1-(3,4-dichlorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 134998318
(4R)-4-benzyl-2-phenyl-4-[(1S)-4,4,4-trichloro-3-oxo-1-phenylbutyl]-1,3-oxazol-5-one
CID 122221427
methyl (3R)-3-[(4S)-4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylpropanoate
CID 122221428
(4S)-4-benzyl-4-[(E,1S)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 102198571
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
CID 54562596
(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
CID 165350179
4-benzyl-2-phenyl-4-(2-trimethylsilylethynyl)-1,3-oxazol-5-one
CID 102232575
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
CID 56602008

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one (CID 135006221) is (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one is O=C(C[C@H](c1ccc(-c2ccccc2)cc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BBUFHUJURRFWKF-PZSMLTKBSA-N. The full InChI is InChI=1S/C37H29NO3/c39-34(31-17-9-3-10-18-31)25-33(30-23-21-29(22-24-30)28-15-7-2-8-16-28)37(26-27-13-5-1-6-14-27)36(40)41-35(38-37)32-19-11-4-12-20-32/h1-24,33H,25-26H2/t33-,37-/m1/s1.
What are the key properties of (4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 535.64 g/mol, XLogP of 7.70, 9 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-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 135006221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).