Basic information
- CAS
88614-34-0- Standard SMILES
Cc1noc(NC(=O)c2ccc(N)cc2)c1C- InChIKey
RNASZWMWORKEHC-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- Isoxazole, 5-(p-aminobenzamido)-3,4-dimethyl-
- IUPAC
- 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
Names & synonyms
BRN 0218781ISOXAZOLE, 5-(p-AMINOBENZAMIDO)-3,4-DIMETHYL-88614-34-03,4-Dimethyl-5-(4-aminobenzamido)isoxazoleDTXSID702372004-27-00-04746 (Beilstein Handbook Reference)RefChem:350248DTXCID30159691CHEMBL271484-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide4-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzamideBDBM50034469
Show more names
AKOS014823823
Database identifiers
- CAS
88614-34-0- PubChem CID
- 55844
- DTXSID
DTXSID70237200- ChEMBL
CHEMBL27148- Nikkaji
- J68.867C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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