(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one

C17H12FNO2 — CID 740193

IUPAC(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1
InChIInChI=1S/C17H12FNO2/c1-11-3-2-4-12(9-11)10-15-17(20)21-16(19-15)13-5-7-14(18)8-6-13/h2-10H,1H3/b15-10-
InChIKeyBTUPZBBPWDVNEX-GDNBJRDFSA-N
MW281.29 g/mol
LogP3.48
Rot. Bonds2

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

(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 740193) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID740193
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1
InChIInChI=1S/C17H12FNO2/c1-11-3-2-4-12(9-11)10-15-17(20)21-16(19-15)13-5-7-14(18)8-6-13/h2-10H,1H3/b15-10-
InChIKeyBTUPZBBPWDVNEX-GDNBJRDFSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 740193) is (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one is Cc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1.
What is the InChIKey of (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is BTUPZBBPWDVNEX-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-3-2-4-12(9-11)10-15-17(20)21-16(19-15)13-5-7-14(18)8-6-13/h2-10H,1H3/b15-10-.
What are the key properties of (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 281.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 740193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).