N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Basic information
- CAS
6004-83-7- Standard SMILES
CCCCN(CC(=O)Nc1cc(C)on1)C(=O)c1ccc2c(c1)OCO2- InChIKey
VDSIOJUXMBNPSC-UHFFFAOYSA-N- Molecular formula
- C18H21N3O5
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.14812078
Names & identifiers
- Preferred name
- N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Names & synonyms
6004-83-7DTXSID00975466N-Butyl-N-{2-[(5-methyl-1,2-oxazol-3(2H)-ylidene)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Database identifiers
- CAS
6004-83-7- PubChem CID
- 5239458
- DTXSID
DTXSID00975466
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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