3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole

C10H10ClN3OS — CID 115080890

IUPAC3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(C3CCNC3)n2)s1
InChIInChI=1S/C10H10ClN3OS/c11-8-2-1-7(16-8)9-13-10(15-14-9)6-3-4-12-5-6/h1-2,6,12H,3-5H2
InChIKeyAAPRLKXWFJTUMA-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.53
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole

3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115080890) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115080890
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(C3CCNC3)n2)s1
InChIInChI=1S/C10H10ClN3OS/c11-8-2-1-7(16-8)9-13-10(15-14-9)6-3-4-12-5-6/h1-2,6,12H,3-5H2
InChIKeyAAPRLKXWFJTUMA-UHFFFAOYSA-N
XLogP2.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
CID 60984120
3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917759
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
N-methyl-5-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 155022146

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115080890) is 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is Clc1ccc(-c2noc(C3CCNC3)n2)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is AAPRLKXWFJTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-8-2-1-7(16-8)9-13-10(15-14-9)6-3-4-12-5-6/h1-2,6,12H,3-5H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 255.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115080890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).