6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one

HCID 9879299

Basic information

Standard SMILES
C#CC1(C)OC(=O)Nc2ccc(-c3cccc(Cl)c3)cc21
InChIKey
OVZBDRQFIYMAJF-UHFFFAOYSA-N
Molecular formula
C17H12ClNO2
Average molar mass
297.7 g/mol

Names & identifiers

Preferred name
6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
IUPAC
6-(3-chlorophenyl)-4-ethynyl-4-methyl-1H-3,1-benzoxazin-2-one

Names & synonyms

SCHEMBL4167679OVZBDRQFIYMAJF-UHFFFAOYSA-N6(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo [d] [1,3]oxazin-2-one6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1.3]oxazin-2-one

Database identifiers

PubChem CID
9879299

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
21

Related reactions

6 records

Compound notes

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