Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-

HCID 46394

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Basic information

CAS: 64037-21-4
Standard SMILES: CN(C)CCCNc1nc2cc(Cl)ccc2o1
InChIKey: UPXNTQIUGPERQJ-UHFFFAOYSA-N
Molecular formula: C12H16ClN3O
Average molar mass: 253.73 g/mol
Monoisotopic mass: 253.0981898

Names & identifiers

Preferred name: Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-
IUPAC: N-(5-chloro-1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
English name: 5-Chloro-N-[3-(dimethylamino)propyl]-2-benzoxazolamine
Molecular formula: C12H16ClN3O
Molecular weight: 253.73

Names & synonyms

BRN 107686364037-21-4BENZOXAZOLE, 5-CHLORO-2-(3-(DIMETHYLAMINO)PROPYL)AMINO-5-Chloro-2-(3-(dimethylamino)propyl)aminobenzoxazoleDTXSID40214043NSC 24978RefChem:328280DTXCID40136534NSC24978NSC-24978DB-3067131, N'-(5-chloro-2-benzoxazolyl)-N,N-dimethyl-

Show more names

5-Chloro-N-[3-(dimethylamino)propyl]-2-benzoxazolamine1,3-Propanediamine, N3-(5-chloro-2-benzoxazolyl)-N1,N1-dimethyl-

5-Chloro-N-[3-(dimethylamino)propyl ]-2-benzoxazolamineN~3~-(5-Chloro-1,3-benzoxazol-2-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine

Database identifiers

CAS: 64037-21-4
PubChem CID: 46394
DTXSID: DTXSID40214043
Nikkaji: J67.903H

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 41.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 240

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