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

C21H14FNO2 — CID 19578690

IUPAC(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c2ccccc12
InChIInChI=1S/C21H14FNO2/c1-13-9-10-14(18-8-3-2-7-17(13)18)12-19-21(24)25-20(23-19)15-5-4-6-16(22)11-15/h2-12H,1H3/b19-12+
InChIKeyZLYALDGKQXZQTO-XDHOZWIPSA-N
MW331.35 g/mol
LogP4.63
Rot. Bonds2

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

(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 19578690) has the molecular formula C21H14FNO2 and a molecular weight of 331.35 g/mol. Its IUPAC name is (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
PubChem CID19578690
Molecular FormulaC21H14FNO2
Molecular Weight331.35 g/mol
Exact Mass331.10
IUPAC Name(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c2ccccc12
InChIInChI=1S/C21H14FNO2/c1-13-9-10-14(18-8-3-2-7-17(13)18)12-19-21(24)25-20(23-19)15-5-4-6-16(22)11-15/h2-12H,1H3/b19-12+
InChIKeyZLYALDGKQXZQTO-XDHOZWIPSA-N
XLogP4.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.63
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

4-[(2,5-dimethylphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875285
(4Z)-2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 5399623
(4E)-4-[(3-fluorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2203830
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 920256
4-[(E)-[2-(3-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 9313085
(4Z)-2-(3-fluorophenyl)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19666154
(4E)-2-(3-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1274161
4-[(4-bromophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 740147
(4Z)-4-[(3,4-difluorophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 17487527
2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3109273
4-[(3,5-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875250
4-[(3-bromophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2844347

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one (CID 19578690) is (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c2ccccc12.
What is the InChIKey of (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is ZLYALDGKQXZQTO-XDHOZWIPSA-N. The full InChI is InChI=1S/C21H14FNO2/c1-13-9-10-14(18-8-3-2-7-17(13)18)12-19-21(24)25-20(23-19)15-5-4-6-16(22)11-15/h2-12H,1H3/b19-12+.
What are the key properties of (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 331.35 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19578690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).