(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one

C25H21NO2 — CID 138969924

IUPAC(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(Cc2ccccc2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C25H21NO2/c1-2-22(20-14-8-4-9-15-20)25(18-19-12-6-3-7-13-19)24(27)26-23(28-25)21-16-10-5-11-17-21/h2-17,22H,1,18H2/t22-,25+/m0/s1
InChIKeyIBBQFODRQYCFOR-WIOPSUGQSA-N
MW367.45 g/mol
LogP4.94
Rot. Bonds6

About (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one

(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one (PubChem CID 138969924) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
PubChem CID138969924
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(Cc2ccccc2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C25H21NO2/c1-2-22(20-14-8-4-9-15-20)25(18-19-12-6-3-7-13-19)24(27)26-23(28-25)21-16-10-5-11-17-21/h2-17,22H,1,18H2/t22-,25+/m0/s1
InChIKeyIBBQFODRQYCFOR-WIOPSUGQSA-N
XLogP4.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one (CID 138969924) is (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one is C=C[C@@H](c1ccccc1)[C@@]1(Cc2ccccc2)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The InChIKey is IBBQFODRQYCFOR-WIOPSUGQSA-N. The full InChI is InChI=1S/C25H21NO2/c1-2-22(20-14-8-4-9-15-20)25(18-19-12-6-3-7-13-19)24(27)26-23(28-25)21-16-10-5-11-17-21/h2-17,22H,1,18H2/t22-,25+/m0/s1.
What are the key properties of (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one is sourced from PubChem (CID 138969924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).