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

C22H23NO2 — CID 101340931

IUPAC(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(CCCC)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C22H23NO2/c1-3-5-16-22(19(4-2)17-12-8-6-9-13-17)21(24)23-20(25-22)18-14-10-7-11-15-18/h4,6-15,19H,2-3,5,16H2,1H3/t19-,22+/m0/s1
InChIKeyYQVNFYMYMNIBIQ-SIKLNZKXSA-N
MW333.43 g/mol
LogP4.89
Rot. Bonds7

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

(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one (PubChem CID 101340931) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
PubChem CID101340931
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(CCCC)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C22H23NO2/c1-3-5-16-22(19(4-2)17-12-8-6-9-13-17)21(24)23-20(25-22)18-14-10-7-11-15-18/h4,6-15,19H,2-3,5,16H2,1H3/t19-,22+/m0/s1
InChIKeyYQVNFYMYMNIBIQ-SIKLNZKXSA-N
XLogP4.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(5H)-Oxazolone, 5,5-dimethyl-2-phenyl-
CID 709402
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
5,5-Diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one
CID 13449404
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 11086329
(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 12840012
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]cyclohexan-1-one
CID 22633616
(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
2-[(R)-(2-chlorophenyl)-[(5S)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl]prop-2-enenitrile
CID 139187316
5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one
CID 271845

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one (CID 101340931) is (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one is C=C[C@@H](c1ccccc1)[C@@]1(CCCC)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The InChIKey is YQVNFYMYMNIBIQ-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-5-16-22(19(4-2)17-12-8-6-9-13-17)21(24)23-20(25-22)18-14-10-7-11-15-18/h4,6-15,19H,2-3,5,16H2,1H3/t19-,22+/m0/s1.
What are the key properties of (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one has a molecular weight of 333.43 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one is sourced from PubChem (CID 101340931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).