2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C19H19ClN4O3S — CID 86877812

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1nc(-c2ccccc2Cl)no1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H19ClN4O3S/c20-16-4-2-1-3-15(16)18-21-19(27-22-18)26-12-17(25)24-8-6-23(7-9-24)11-14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2
InChIKeyGMOMYJGNIDNZOU-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.17
Rot. Bonds6

About 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 86877812) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID86877812
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1nc(-c2ccccc2Cl)no1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H19ClN4O3S/c20-16-4-2-1-3-15(16)18-21-19(27-22-18)26-12-17(25)24-8-6-23(7-9-24)11-14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2
InChIKeyGMOMYJGNIDNZOU-UHFFFAOYSA-N
XLogP3.17
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180756
1-(4-benzylpiperazin-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266774
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 24643451
2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9180673
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180941
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 50745912
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide
CID 71852257
1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 37088185
3-(1,3-benzothiazol-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 9180739
2-(3-methylazetidin-3-yl)oxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 102611807

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 86877812) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is O=C(COc1nc(-c2ccccc2Cl)no1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is GMOMYJGNIDNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-16-4-2-1-3-15(16)18-21-19(27-22-18)26-12-17(25)24-8-6-23(7-9-24)11-14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2.
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 418.91 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86877812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).