Basic information
- CAS
104527-96-0- Standard SMILES
CC(C)C[C@H]1[C@@H](c2ccccc2)OC(=O)N1CCCN1CCCCC1- InChIKey
AXRKILQEHPABMB-VQTJNVASSA-N- Molecular formula
- C21H32N2O2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.24637827
Overview
structure given in first source
Names & identifiers
- Preferred name
- Mlv 3076
- IUPAC
- (4S,5R)-4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
Names & synonyms
Mlv 3076104527-96-0MLV-30762-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-cis)-RefChem:159263(4S-cis)-4-(2-Methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-2-oxazolidinone(4S,5R)-4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-oneSCHEMBL9798009DTXSID80909027(4S,5R)-4-(2-methylpropyl)-5-phenyl-3-[3-(piperidin-1-yl)propyl]-1,3-oxazolidin-2-one4-(2-methylpropyl)-5-phenyl-3-(3-piperidinopropyl)-1,3-oxazolidin-2-one4-(2-Methylpropyl)-5-phenyl-3-[3-(piperidin-1-yl)propyl]-1,3-oxazolidin-2-one
Database identifiers
- CAS
104527-96-0- PubChem CID
- 128596
- DTXSID
DTXSID80909027- Nikkaji
- J227.971A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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