5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one

C12H9ClFNO2 — CID 58112579

IUPAC5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Cc2ccccc2F)nc1Cl
InChIInChI=1S/C12H9ClFNO2/c1-7-11(13)15-10(12(16)17-7)6-8-4-2-3-5-9(8)14/h2-5H,6H2,1H3
InChIKeyLVHXWGAVBKPGPK-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one

5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one (PubChem CID 58112579) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one
PubChem CID58112579
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Cc2ccccc2F)nc1Cl
InChIInChI=1S/C12H9ClFNO2/c1-7-11(13)15-10(12(16)17-7)6-8-4-2-3-5-9(8)14/h2-5H,6H2,1H3
InChIKeyLVHXWGAVBKPGPK-UHFFFAOYSA-N
XLogP2.73
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534593
Ethyl 2-diazo-3-(3-fluorophenyl)propanoate
CID 137316247
5-Chloro-3-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-1,4-oxazin-2-one
CID 58112568
Ethyl 4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 73432725
Methyl 4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 73432736
methyl (2Z)-4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 88082179
ethyl (2Z)-4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 88082313
Ethyl 4-(4-fluorophenyl)-3-iminobutanoate
CID 91090810
Methyl 3-(2,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 91192865
Ethyl 4-(3-fluorophenyl)-3-iminobutanoate
CID 91284169
ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate
CID 135364729
ethyl (2Z)-3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate
CID 135364894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one?
The IUPAC name of 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one (CID 58112579) is 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one.
What is the SMILES notation for 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one?
The canonical SMILES for 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one is Cc1oc(=O)c(Cc2ccccc2F)nc1Cl.
What is the InChIKey of 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one?
The InChIKey is LVHXWGAVBKPGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c1-7-11(13)15-10(12(16)17-7)6-8-4-2-3-5-9(8)14/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one?
5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one has a molecular weight of 253.66 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one is sourced from PubChem (CID 58112579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).