2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole

C14H11ClN2O2S — CID 136522449

IUPAC2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole
SMILESClc1c(-c2nnc(C3CCCO3)o2)sc2ccccc12
InChIInChI=1S/C14H11ClN2O2S/c15-11-8-4-1-2-6-10(8)20-12(11)14-17-16-13(19-14)9-5-3-7-18-9/h1-2,4,6,9H,3,5,7H2
InChIKeyNWJKWXHBCAJFEE-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.46
Rot. Bonds2

About 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole

2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole (PubChem CID 136522449) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole
PubChem CID136522449
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole
SMILESClc1c(-c2nnc(C3CCCO3)o2)sc2ccccc12
InChIInChI=1S/C14H11ClN2O2S/c15-11-8-4-1-2-6-10(8)20-12(11)14-17-16-13(19-14)9-5-3-7-18-9/h1-2,4,6,9H,3,5,7H2
InChIKeyNWJKWXHBCAJFEE-UHFFFAOYSA-N
XLogP4.46
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2514715
5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 15141971
(2S)-2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylpropanamide
CID 7875883
S-[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl] benzenecarbothioate
CID 56969764
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 2644640
2-(3-chloro-1-benzothiophen-2-yl)-5-(2-methylsulfanylethylsulfanyl)-1,3,4-oxadiazole
CID 7875900
5-(3-chloro-1-benzothiophen-2-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15141974
2-(3-chloro-1-benzothiophen-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3593449
2-(3,5-dichloro-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 11501120
2-(3-chloro-1-benzothiophen-2-yl)-5-(2-phenoxyethylsulfanyl)-1,3,4-oxadiazole
CID 7940623
(4aS,5R,10bS)-5-(3-chloro-1-benzothiophen-2-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 15440331
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 7875896

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole (CID 136522449) is 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole is Clc1c(-c2nnc(C3CCCO3)o2)sc2ccccc12.
What is the InChIKey of 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole?
The InChIKey is NWJKWXHBCAJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-11-8-4-1-2-6-10(8)20-12(11)14-17-16-13(19-14)9-5-3-7-18-9/h1-2,4,6,9H,3,5,7H2.
What are the key properties of 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole?
2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole has a molecular weight of 306.77 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 136522449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).