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

C10H6FNO2 — CID 71323051

IUPAC4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC=NC1=Cc1ccccc1F
InChIInChI=1S/C10H6FNO2/c11-8-4-2-1-3-7(8)5-9-10(13)14-6-12-9/h1-6H
InChIKeyVVOQAOLTJQNMPG-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.75
Rot. Bonds1

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

4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 71323051) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID71323051
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC=NC1=Cc1ccccc1F
InChIInChI=1S/C10H6FNO2/c11-8-4-2-1-3-7(8)5-9-10(13)14-6-12-9/h1-6H
InChIKeyVVOQAOLTJQNMPG-UHFFFAOYSA-N
XLogP1.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.75
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-Methyl-4-(phenylmethylene)oxazol-5(4H)-one
CID 1551278
(Z)-4-Benzylidene-2-methyloxazol-5(4H)-one
CID 1551279
(Z)-2-amino-3-phenylpropenoic acid methyl ester
CID 10773647
(Z)-2-Methyl-4-(4-methylbenzylidene)oxazol-5(4H)-one
CID 1550070
4-Benzylidene-5-oxazolone
CID 272739
(4Z)-4-[(4-fluorophenyl)methylene]-2-methyl-oxazol-5-one
CID 2306688
4-benzylidene-2-methyl-4H-oxazol-5-one
CID 94946
Methyl 2-azido-3-(4-fluorophenyl)prop-2-enoate
CID 53235647
4-[[3-Methyl-4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 2732527
(4Z)-4-[(2-Fluorophenyl)methylidene]-2-[(1E)-2-(4-methylphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one
CID 5886500
(4Z)-4-[(3-Fluorophenyl)methylidene]-2-[(1E)-2-(4-methylphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one
CID 5886570
(Z)-2-(tert-butyl)-4-(2-fluorobenzylidene)oxazol-5(4H)-one
CID 6105168

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 71323051) is 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC=NC1=Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is VVOQAOLTJQNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-8-4-2-1-3-7(8)5-9-10(13)14-6-12-9/h1-6H.
What are the key properties of 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 191.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 71323051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).