Methyl 3-(6-amino-2,3-dihydrobenz-1,4-oxazin-4-ylmethyl)benzoate

HCID 54048005
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cccc(CN2CCOc3ccc(N)cc32)c1
InChIKey
LQXDABFFXSBEHF-UHFFFAOYSA-N
Molecular formula
C17H18N2O3
Average molar mass
298.34 g/mol
Monoisotopic mass
298.13174244

Names & identifiers

Preferred name
Methyl 3-(6-amino-2,3-dihydrobenz-1,4-oxazin-4-ylmethyl)benzoate
IUPAC
methyl 3-[(6-amino-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate

Names & synonyms

SCHEMBL10870628LQXDABFFXSBEHF-UHFFFAOYSA-Nmethyl 3-(6-amino-2,3-dihydrobenz-1,4-oxazin-4-ylmethyl)benzoate

Database identifiers

PubChem CID
54048005

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
64.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Related reactions

24 records
New reaction record

Compound notes

Loading…