2(3H)-Benzoxazolone, 6-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-3-methyl-

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Basic information

CAS: 92532-77-9
Standard SMILES: COc1ccccc1N1CCN(CCc2ccc3c(c2)oc(=O)n3C)CC1
InChIKey: KHUHQDZUENTTRU-UHFFFAOYSA-N
Molecular formula: C21H25N3O3
Average molar mass: 367.4 g/mol
Monoisotopic mass: 367.18959167

Names & identifiers

Preferred name: 2(3H)-Benzoxazolone, 6-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-3-methyl-
IUPAC: 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one

Names & synonyms

92532-77-92(3H)-BENZOXAZOLONE, 6-(2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-3-METHYL-6-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-3-methyl-2(3H)-benzoxazoloneDTXSID60239036Methyl-3 (((methoxy-2' phenyl)-4 piperazinyl-1)-2 ethyl)-6 benzoxazolinone [French]Methyl-3 (((methoxy-2' phenyl)-4 piperazinyl-1)-2 ethyl)-6 benzoxazolinoneRefChem:241546DTXCID80161527SCHEMBL10988775KHUHQDZUENTTRU-UHFFFAOYSA-N3-Methyl-6-(2-[4-(2-methoxyphenyl)-piperazin-1-yl]-ethyl)-benzoxazolinone6-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-3-methyl-1,3-benzoxazol-2(3H)-one

Database identifiers

CAS: 92532-77-9
PubChem CID: 56436
DTXSID: DTXSID60239036

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 509

Related reactions

2 records

New reaction record

HRID 637701As productuspto-grants-1985_12

HRID 2159941As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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