(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one

C17H19NO2 — CID 11231005

IUPAC(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
SMILESC=C[C@@H](C=C(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H19NO2/c1-5-14(11-12(2)3)17(4)16(19)18-15(20-17)13-9-7-6-8-10-13/h5-11,14H,1H2,2-4H3/t14-,17+/m0/s1
InChIKeyHWOMIYQGESQZAQ-WMLDXEAASA-N
MW269.34 g/mol
LogP3.52
Rot. Bonds4

About (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one

(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one (PubChem CID 11231005) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
PubChem CID11231005
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
SMILESC=C[C@@H](C=C(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H19NO2/c1-5-14(11-12(2)3)17(4)16(19)18-15(20-17)13-9-7-6-8-10-13/h5-11,14H,1H2,2-4H3/t14-,17+/m0/s1
InChIKeyHWOMIYQGESQZAQ-WMLDXEAASA-N
XLogP3.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one with MolForge

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Related Compounds

4(5H)-Oxazolone, 5,5-dimethyl-2-phenyl-
CID 709402
2-Phenyloxazol-4(5H)-one
CID 6917403
5-Methyl-2-phenyl-1,3-oxazol-4-one
CID 11788573
5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one
CID 271849
(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 11164252
5-(2-Methylpropyl)-2-phenyl-1,3-oxazol-4-one
CID 11447269
(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-Phenyl-5-prop-2-enyl-1,3-oxazol-4-one
CID 46221327
[(1S)-2-methyl-1-[(5R)-4-oxo-2-phenyl-5-prop-2-enyl-1,3-oxazol-5-yl]propyl] acetate
CID 46221328
5-Methyl-2-(3-methylphenyl)-1,3-oxazol-4-one
CID 60153119
5-Butyl-2-phenyl-1,3-oxazol-4-one
CID 85951550

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one (CID 11231005) is (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one is C=C[C@@H](C=C(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one?
The InChIKey is HWOMIYQGESQZAQ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-14(11-12(2)3)17(4)16(19)18-15(20-17)13-9-7-6-8-10-13/h5-11,14H,1H2,2-4H3/t14-,17+/m0/s1.
What are the key properties of (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one?
(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one has a molecular weight of 269.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 11231005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).