Oxadimedine
Basic information
- CAS
16485-05-5- Standard SMILES
CN(C)CCN(Cc1ccccc1)c1nc2ccccc2o1- InChIKey
FBJHSTREJLPCAT-UHFFFAOYSA-N- Molecular formula
- C18H21N3O
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.1684623
Overview
Oxadimedine is a small molecule drug. Oxadimedine has a monoisotopic molecular weight of 295.17 Da.
Names & identifiers
- Preferred name
- Oxadimedine
- IUPAC
- N'-(1,3-benzoxazol-2-yl)-N'-benzyl-N,N-dimethylethane-1,2-diamine
- English name
- Oxadimedine
- Molecular formula
- C18H21N3O
- Molecular weight
- 295.38
Names & synonyms
OxadimedineOxadimedine [INN]UNII-8K9WQD78R616485-05-5oxadimedina8K9WQD78R6N-(BENZOXAZOLYL)-N-BENZYL-N,N-DIMETHYLETHYLENEDIAMINEossadimedinaoxadimedinumRefChem:168777N'-(1,3-benzoxazol-2-yl)-N'-benzyl-N,N-dimethylethane-1,2-diamineSR-01000945170
Show more names
1,2-Ethanediamine, N1-2-benzoxazolyl-N2,N2-dimethyl-N1-(phenylmethyl)-
MLS006011540SCHEMBL2110216CHEMBL2110998DTXSID60864680AKOS033323575SMR004703307SR-01000945170-1SR-01000945170-2
Database identifiers
- CAS
16485-05-5- PubChem CID
- 167465
- DTXSID
DTXSID60864680- ChEMBL
CHEMBL2110998- UNII
- 8K9WQD78R6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- FDA UNII
- 8 K9WQD78R6 · 8K9WQD78R6
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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