3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole

C14H12ClN3O4S2 — CID 119102426

IUPAC3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C14H12ClN3O4S2/c15-11-3-4-12(23-11)24(19,20)18-6-5-9(8-18)13-16-14(22-17-13)10-2-1-7-21-10/h1-4,7,9H,5-6,8H2
InChIKeyHOVYQPBIGOFPOQ-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.22
Rot. Bonds4

About 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole

3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 119102426) has the molecular formula C14H12ClN3O4S2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID119102426
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.85 g/mol
Exact Mass385.00
IUPAC Name3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C14H12ClN3O4S2/c15-11-3-4-12(23-11)24(19,20)18-6-5-9(8-18)13-16-14(22-17-13)10-2-1-7-21-10/h1-4,7,9H,5-6,8H2
InChIKeyHOVYQPBIGOFPOQ-UHFFFAOYSA-N
XLogP3.22
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129416819
[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 121019657
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509245
(E)-3-(furan-2-yl)-1-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 124891869
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 24680234
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 124891903
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole (CID 119102426) is 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCC(c2noc(-c3ccco3)n2)C1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is HOVYQPBIGOFPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S2/c15-11-3-4-12(23-11)24(19,20)18-6-5-9(8-18)13-16-14(22-17-13)10-2-1-7-21-10/h1-4,7,9H,5-6,8H2.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole?
3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 385.85 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119102426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).