Methyl 4-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

HCID 21086201
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN1CCOc2c(-c3ncco3)cc(C(=O)OC)cc21
InChIKey
DQMWROFJDWVLQF-UHFFFAOYSA-N
Molecular formula
C17H20N2O4
Average molar mass
316.35 g/mol

Names & identifiers

Preferred name
Methyl 4-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
IUPAC
methyl 4-butyl-8-(1,3-oxazol-2-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxylate

Names & synonyms

SCHEMBL3349063DQMWROFJDWVLQF-UHFFFAOYSA-NMethyl 4-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Database identifiers

PubChem CID
21086201

Properties

Computed structural properties

XLogP
3
Topological polar surface area
64.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

Related reactions

5 records
New reaction record

Compound notes

Loading…