5,7-Dimethyl-2-(1-piperazinyl)benzoxazole

HCID 11622752

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 199292-76-7
Standard SMILES: Cc1cc(C)c2oc(N3CCNCC3)nc2c1
InChIKey: WRDXLOOVDBHBLW-UHFFFAOYSA-N
Molecular formula: C13H17N3O
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.13716217

Names & identifiers

Preferred name: 5,7-Dimethyl-2-(1-piperazinyl)benzoxazole
IUPAC: 5,7-dimethyl-2-piperazin-1-yl-1,3-benzoxazole

Names & synonyms

5,7-Dimethyl-2-(1-piperazinyl)benzoxazole199292-76-7SCHEMBL6010869DTXSID90469602WRDXLOOVDBHBLW-UHFFFAOYSA-N5,7-Dimethyl-2-(1-piperazinvl)benzoxazole5,7-Dimethyl-2-(l-piperazinyl)benzoxazole5,7-DIMETHYL-2-(PIPERAZIN-1-YL)-1,3-BENZOXAZOLE

Database identifiers

CAS: 199292-76-7
PubChem CID: 11622752
DTXSID: DTXSID90469602

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 41.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 267

Related reactions

6 records

New reaction record

HRID 378868As productuspto-grants-2001_10

HRID 814010As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 984074As productuspto-grants-2005_03

HRID 1267267As productuspto-grants-2003_04

HRID 1636853As productuspto-grants-2000_03

HRID 2270943As productuspto-grants-2001_12

Compound notes

Loading…