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

C17H12FNO2 — CID 22331042

IUPAC4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2nc(-c3ccccc3F)cc(=O)o2)c1
InChIInChI=1S/C17H12FNO2/c1-11-5-4-6-12(9-11)17-19-15(10-16(20)21-17)13-7-2-3-8-14(13)18/h2-10H,1H3
InChIKeyGMHPKNPWTLXLAC-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.82
Rot. Bonds2

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

4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one (PubChem CID 22331042) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one
PubChem CID22331042
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2nc(-c3ccccc3F)cc(=O)o2)c1
InChIInChI=1S/C17H12FNO2/c1-11-5-4-6-12(9-11)17-19-15(10-16(20)21-17)13-7-2-3-8-14(13)18/h2-10H,1H3
InChIKeyGMHPKNPWTLXLAC-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one?
The IUPAC name of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one (CID 22331042) is 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one is Cc1cccc(-c2nc(-c3ccccc3F)cc(=O)o2)c1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one?
The InChIKey is GMHPKNPWTLXLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-5-4-6-12(9-11)17-19-15(10-16(20)21-17)13-7-2-3-8-14(13)18/h2-10H,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one?
4-(2-fluorophenyl)-2-(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 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 22331042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).