5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one

C11H8ClNO2 — CID 11401775

IUPAC5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(-c2ccccc2)nc1Cl
InChIInChI=1S/C11H8ClNO2/c1-7-10(12)13-9(11(14)15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyMWEMBYPHEGIBCJ-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.66
Rot. Bonds1

About 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one

5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one (PubChem CID 11401775) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
PubChem CID11401775
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(-c2ccccc2)nc1Cl
InChIInChI=1S/C11H8ClNO2/c1-7-10(12)13-9(11(14)15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyMWEMBYPHEGIBCJ-UHFFFAOYSA-N
XLogP2.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one?
The IUPAC name of 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one (CID 11401775) is 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one is Cc1oc(=O)c(-c2ccccc2)nc1Cl.
What is the InChIKey of 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one?
The InChIKey is MWEMBYPHEGIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7-10(12)13-9(11(14)15-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one?
5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one has a molecular weight of 221.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one is sourced from PubChem (CID 11401775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).