5-tert-butyl-N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Basic information
- CAS
1005584-91-7- Standard SMILES
Cn1ncc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)c1C(N)=O- InChIKey
ULEQERHDHMIUOG-UHFFFAOYSA-N- Molecular formula
- C17H23N5O3
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.18008961
Names & identifiers
- Preferred name
- 5-tert-butyl-N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
- IUPAC
- 5-tert-butyl-N-(5-carbamoyl-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Names & synonyms
5-tert-butyl-N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamideDTXSID301105286STL399263AKOS0037572331005584-91-7N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Database identifiers
- CAS
1005584-91-7- PubChem CID
- 4777481
- DTXSID
DTXSID301105286
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…