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

C24H24FNO2 — CID 7030550

IUPAC(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESCCC1CCC(c2ccc(C3=N/C(=C/c4ccccc4F)C(=O)O3)cc2)CC1
InChIInChI=1S/C24H24FNO2/c1-2-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-26-22(24(27)28-23)15-20-5-3-4-6-21(20)25/h3-6,11-17H,2,7-10H2,1H3/b22-15+
InChIKeyOVEJUGIXILHIRX-PXLXIMEGSA-N
MW377.46 g/mol
LogP5.85
Rot. Bonds4

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

(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 7030550) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID7030550
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESCCC1CCC(c2ccc(C3=N/C(=C/c4ccccc4F)C(=O)O3)cc2)CC1
InChIInChI=1S/C24H24FNO2/c1-2-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-26-22(24(27)28-23)15-20-5-3-4-6-21(20)25/h3-6,11-17H,2,7-10H2,1H3/b22-15+
InChIKeyOVEJUGIXILHIRX-PXLXIMEGSA-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

2-[4-(4-ethylcyclohexyl)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 3645908
2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 3256853
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 19670966
2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3109273
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
(4Z)-2-(2-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 687443
2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4114586
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564
(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 1103706
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 781961
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 7030550) is (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is CCC1CCC(c2ccc(C3=N/C(=C/c4ccccc4F)C(=O)O3)cc2)CC1.
What is the InChIKey of (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is OVEJUGIXILHIRX-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-2-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-26-22(24(27)28-23)15-20-5-3-4-6-21(20)25/h3-6,11-17H,2,7-10H2,1H3/b22-15+.
What are the key properties of (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-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 (4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 7030550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).