2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one

C17H12FNO2 — CID 3284110

IUPAC2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2cc(=O)oc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C17H12FNO2/c1-11-4-2-5-12(8-11)15-10-16(20)21-17(19-15)13-6-3-7-14(18)9-13/h2-10H,1H3
InChIKeyPHCATASEGIPLMB-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.82
Rot. Bonds2

About 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one

2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one (PubChem CID 3284110) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
PubChem CID3284110
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2cc(=O)oc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C17H12FNO2/c1-11-4-2-5-12(8-11)15-10-16(20)21-17(19-15)13-6-3-7-14(18)9-13/h2-10H,1H3
InChIKeyPHCATASEGIPLMB-UHFFFAOYSA-N
XLogP3.82
TPSA43.10 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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
2-Oxazolin-5-one, 4-(p-fluorobenzylidene)-2-phenyl-
CID 1550109
4-(4-Methoxy-phenyl)-2-m-tolyl-[1,3]oxazin-6-one
CID 921407
2-Oxazolin-5-one, 4-(m-fluorobenzylidene)-2-phenyl-
CID 1550107
4-Benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
CID 740036
2,4-Bis(2-fluorophenyl)-1,3-oxazin-6-one
CID 921563
4-(3-bromophenyl)-2-(2-fluorophenyl)-6H-1,3-oxazin-6-one
CID 1388525
4-((2-Fluorophenyl)methylene)-2-phenyloxazol-5(4H)-one
CID 73510
(4Z)-2-(4-fluorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 740193
(4Z)-2-(2-fluorophenyl)-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-5(4H)-one
CID 745519
4-[(2-Fluorophenyl)methylene]-2-phenyl-5(4H)-oxazolone
CID 1550106
4-benzylidene-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
CID 781381

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
The IUPAC name of 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one (CID 3284110) is 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one is Cc1cccc(-c2cc(=O)oc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
The InChIKey is PHCATASEGIPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-4-2-5-12(8-11)15-10-16(20)21-17(19-15)13-6-3-7-14(18)9-13/h2-10H,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one has a molecular weight of 281.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 3284110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).