5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one

C12H10ClNO2 — CID 15641966

IUPAC5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one
SMILESCc1ccc(-c2nc(Cl)c(C)oc2=O)cc1
InChIInChI=1S/C12H10ClNO2/c1-7-3-5-9(6-4-7)10-12(15)16-8(2)11(13)14-10/h3-6H,1-2H3
InChIKeyNXWDGEHXCIMBML-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.97
Rot. Bonds1

About 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one

5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one (PubChem CID 15641966) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one
PubChem CID15641966
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one
SMILESCc1ccc(-c2nc(Cl)c(C)oc2=O)cc1
InChIInChI=1S/C12H10ClNO2/c1-7-3-5-9(6-4-7)10-12(15)16-8(2)11(13)14-10/h3-6H,1-2H3
InChIKeyNXWDGEHXCIMBML-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylidene-4-phenyl-1,3-oxazol-5(2H)-one
CID 851756
Tert-butyl 2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 74080449
2-Benzylidene-4-phenyl-5(2h)-oxazolone
CID 11842096
Methyl 2-([1,1'-biphenyl]-4-yl)-2-diazoacetate
CID 101156966
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
Tert-butyl 2-diazo-2-phenylacetate
CID 72993439
Methyl 2-diazo-2-p-tolylacetate
CID 73196576
Ethyl iminophenylacetate hydrochloride
CID 86737148
Tert-butyl 2-diazo-2-(4-methylphenyl)acetate
CID 101457891
Ethyl 2-ethylimino-2-phenylacetate
CID 125476677
Propan-2-yl 2-diazo-2-(4-methylphenyl)acetate
CID 155670980
5-Chloro-3-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-1,4-oxazin-2-one
CID 58112568

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one?
The IUPAC name of 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one (CID 15641966) is 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one is Cc1ccc(-c2nc(Cl)c(C)oc2=O)cc1.
What is the InChIKey of 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one?
The InChIKey is NXWDGEHXCIMBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-3-5-9(6-4-7)10-12(15)16-8(2)11(13)14-10/h3-6H,1-2H3.
What are the key properties of 5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one?
5-chloro-6-methyl-3-(4-methylphenyl)-1,4-oxazin-2-one has a molecular weight of 235.67 g/mol, XLogP of 2.97, 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-(4-methylphenyl)-1,4-oxazin-2-one is sourced from PubChem (CID 15641966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).