Basic information
- CAS
628273-90-5- Standard SMILES
CCC(CC)c1nc(C#N)c(NC(C)c2ccccc2)o1- InChIKey
KMYFLFUWXSRAQB-UHFFFAOYSA-N- Molecular formula
- C17H21N3O
- Average molar mass
- 283.37 g/mol
Names & identifiers
- Preferred name
- 2-Pentan-3-yl-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
- IUPAC
- 2-pentan-3-yl-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
- English name
- 2-(1-ethylpropyl)-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
- Molecular formula
- C17H21N3O
- Molecular weight
- 283.37
Names & synonyms
2-pentan-3-yl-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile628273-90-52-(1-ethylpropyl)-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrileMLS000704049CHEMBL1304673HMS2580B07STK818635AKOS002232431AKOS016108393NCGC00275520-01SMR000225353AB00565176-06
Show more names
4-Oxazolecarbonitrile, 2-(1-ethylpropyl)-5-[(1-phenylethyl)amino]-
AF-399/42490354Z577891272-(pentan-3-yl)-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Database identifiers
- CAS
628273-90-5- ChEMBL
CHEMBL1304673
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 423.7 · 423.7±35.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- -0.99 · -0.99±0.10(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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