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

C24H25NO2 — CID 11164252

IUPAC(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(C2CCCCC2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C24H25NO2/c1-2-21(18-12-6-3-7-13-18)24(20-16-10-5-11-17-20)23(26)25-22(27-24)19-14-8-4-9-15-19/h2-4,6-9,12-15,20-21H,1,5,10-11,16-17H2/t21-,24+/m0/s1
InChIKeyHBIGNXZTNYBPIR-XUZZJYLKSA-N
MW359.47 g/mol
LogP5.28
Rot. Bonds5

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

(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one (PubChem CID 11164252) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
PubChem CID11164252
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(C2CCCCC2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C24H25NO2/c1-2-21(18-12-6-3-7-13-18)24(20-16-10-5-11-17-20)23(26)25-22(27-24)19-14-8-4-9-15-19/h2-4,6-9,12-15,20-21H,1,5,10-11,16-17H2/t21-,24+/m0/s1
InChIKeyHBIGNXZTNYBPIR-XUZZJYLKSA-N
XLogP5.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-Diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one
CID 13449404
(5S)-5-benzyl-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-1,3-oxazol-4-one
CID 139094373
(4R)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 56974588
(4S)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 57166581
(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
CID 11231005
5(4H)-Oxazolone, 2-phenyl-4,4-bis(phenylmethyl)-
CID 11244749
5-(2-Methylpropyl)-2-phenyl-1,3-oxazol-4-one
CID 11447269
(5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 11749005
(5R)-5-[(1S)-1-(cyclohexen-1-yl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 12123228
2,5,5-Triphenyl-1,3-oxazol-4-one
CID 13032348
2-Methyl-5,5-diphenyl-1,3-oxazol-4-one
CID 13032349
(4S)-4-benzyl-4-[(1R)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 15342898

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one (CID 11164252) is (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one is C=C[C@@H](c1ccccc1)[C@@]1(C2CCCCC2)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
The InChIKey is HBIGNXZTNYBPIR-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-21(18-12-6-3-7-13-18)24(20-16-10-5-11-17-20)23(26)25-22(27-24)19-14-8-4-9-15-19/h2-4,6-9,12-15,20-21H,1,5,10-11,16-17H2/t21-,24+/m0/s1.
What are the key properties of (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one?
(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one has a molecular weight of 359.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one is sourced from PubChem (CID 11164252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).