Basic information
- CAS
99803-72-2- Standard SMILES
Cc1oncc1C(=O)N1CCCCC1- InChIKey
ZWNGSOLJLMBZFZ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- Nerbacadol
- IUPAC
- (5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone
- English name
- Nerbacadol
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
Nerbacadol99803-72-2Nerbacadol [INN]NerbacadolumNerbacadolum [Latin]1-((5-Methyl-4-isoxazolyl)carbonyl)piperidineN-(5-Methyl-4-isoxazolylcarbonyl)piperidineUNII-A9W1Q28TT2A9W1Q28TT2DTXSID70244257Piperidine, 1-((5-methyl-4-isoxazolyl)carbonyl)-Nerbacadolum (Latin)
Show more names
N-(5-Methyl-4-isoxazolylcarbonyl)-piperidine1-[(5-Methyl-4-isoxazolyl)carbonyl]piperidine(5-Methyl-4-isoxazolyl)-1-piperidinylmethanoneMethanone, (5-methyl-4-isoxazolyl)-1-piperidinyl-
RefChem:165491DTXCID701667481-(5-METHYL-1,2-OXAZOLE-4-CARBONYL)PIPERIDINE(5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone(5-methylisoxazol-4-yl)(piperidin-1-yl)methanoneSCHEMBL2109466CHEMBL2104808ZWNGSOLJLMBZFZ-UHFFFAOYSA-N
Database identifiers
- CAS
99803-72-2- PubChem CID
- 65865
- DTXSID
DTXSID70244257- ChEMBL
CHEMBL2104808- UNII
- A9W1Q28TT2
- Nikkaji
- J33.389A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- FDA UNII
- 9 W1Q28TT2 · A9W1Q28TT2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司13675144456 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
Loading…