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

C12H10ClNO2 — CID 58112572

IUPAC3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Cc2ccccc2)nc1Cl
InChIInChI=1S/C12H10ClNO2/c1-8-11(13)14-10(12(15)16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyVDSXLZRQOOVPAJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.59
Rot. Bonds2

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

3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one (PubChem CID 58112572) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one
PubChem CID58112572
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Cc2ccccc2)nc1Cl
InChIInChI=1S/C12H10ClNO2/c1-8-11(13)14-10(12(15)16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyVDSXLZRQOOVPAJ-UHFFFAOYSA-N
XLogP2.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5(2H)-Oxazolone, 4-(phenylmethyl)-
CID 562347
4-Benzyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534593
Ethyl 2-diazo-3-phenylpropanoate
CID 72738061
t-Butyl 2-diazo-3-phenylpropanoate
CID 72785009
Methyl 2-diazo-3-phenylpropanoate
CID 85303691
2-Methyl-4-benzyl-5-oxazolone
CID 86161812
5-Chloro-3-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-1,4-oxazin-2-one
CID 58112568
5-Chloro-3-[(2-fluorophenyl)methyl]-6-methyl-1,4-oxazin-2-one
CID 58112579
2H-1,4-Oxazin-2-one, 5-chloro-6-methyl-3-phenyl-
CID 11401775
2-Methyl-5-phenyl-1,3,4-oxadiazin-6-one
CID 10867098
Propan-2-yl 2-diazo-3-phenylpropanoate
CID 72969716
methyl (2E)-2-hydroxyimino-3-phenylpropanoate
CID 91622030

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one?
The IUPAC name of 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one (CID 58112572) is 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one.
What is the SMILES notation for 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one?
The canonical SMILES for 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one is Cc1oc(=O)c(Cc2ccccc2)nc1Cl.
What is the InChIKey of 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one?
The InChIKey is VDSXLZRQOOVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8-11(13)14-10(12(15)16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one?
3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one has a molecular weight of 235.67 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloro-6-methyl-1,4-oxazin-2-one is sourced from PubChem (CID 58112572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).