(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one

C19H23NO2 — CID 57160608

IUPAC(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)C[C@@]1([C@@H]2C=CCCC2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H23NO2/c1-14(2)13-19(16-11-7-4-8-12-16)18(21)22-17(20-19)15-9-5-3-6-10-15/h3,5-7,9-11,14,16H,4,8,12-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyMQOKHLMEZVPUFD-APWZRJJASA-N
MW297.40 g/mol
LogP4.13
Rot. Bonds4

About (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one

(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one (PubChem CID 57160608) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one
PubChem CID57160608
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)C[C@@]1([C@@H]2C=CCCC2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H23NO2/c1-14(2)13-19(16-11-7-4-8-12-16)18(21)22-17(20-19)15-9-5-3-6-10-15/h3,5-7,9-11,14,16H,4,8,12-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyMQOKHLMEZVPUFD-APWZRJJASA-N
XLogP4.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
6-Phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 504604
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
Methyl 4-methyl-2-[[2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazol-5-ylidene]amino]-2-(trifluoromethyl)pentanoate
CID 11225628

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one (CID 57160608) is (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one is CC(C)C[C@@]1([C@@H]2C=CCCC2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is MQOKHLMEZVPUFD-APWZRJJASA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)13-19(16-11-7-4-8-12-16)18(21)22-17(20-19)15-9-5-3-6-10-15/h3,5-7,9-11,14,16H,4,8,12-13H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one?
(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 297.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 57160608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).