2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one

C24H24FNO2 — CID 3645908

IUPAC2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESCCC1CCC(c2ccc(C3=NC(=Cc4ccc(F)cc4)C(=O)O3)cc2)CC1
InChIInChI=1S/C24H24FNO2/c1-2-16-3-7-18(8-4-16)19-9-11-20(12-10-19)23-26-22(24(27)28-23)15-17-5-13-21(25)14-6-17/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyVOKYPZZGMHNANV-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.85
Rot. Bonds4

About 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one

2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 3645908) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID3645908
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESCCC1CCC(c2ccc(C3=NC(=Cc4ccc(F)cc4)C(=O)O3)cc2)CC1
InChIInChI=1S/C24H24FNO2/c1-2-16-3-7-18(8-4-16)19-9-11-20(12-10-19)23-26-22(24(27)28-23)15-17-5-13-21(25)14-6-17/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyVOKYPZZGMHNANV-UHFFFAOYSA-N
XLogP5.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 7030550
(4Z)-2-(4-fluorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 806078
methyl 4-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2876580
[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] methanesulfonate
CID 2184509
3-[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-methylanilino]propanenitrile
CID 2442564
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 806042
(4E)-4-[(4-ethylphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 108936192
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 920418
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 2306688
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 9313429
(4E)-2-(4-fluorophenyl)-4-[[4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 2182196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 3645908) is 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is CCC1CCC(c2ccc(C3=NC(=Cc4ccc(F)cc4)C(=O)O3)cc2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is VOKYPZZGMHNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-2-16-3-7-18(8-4-16)19-9-11-20(12-10-19)23-26-22(24(27)28-23)15-17-5-13-21(25)14-6-17/h5-6,9-16,18H,2-4,7-8H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 377.46 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3645908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).