2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C15H17N5O3S2 — CID 110217531

IUPAC2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCCC2c2nnc(-c3cccs3)o2)cn1
InChIInChI=1S/C15H17N5O3S2/c1-2-19-10-11(9-16-19)25(21,22)20-7-3-5-12(20)14-17-18-15(23-14)13-6-4-8-24-13/h4,6,8-10,12H,2-3,5,7H2,1H3
InChIKeyKWCYUCJYFPDSIA-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 110217531) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID110217531
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC Name2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCCC2c2nnc(-c3cccs3)o2)cn1
InChIInChI=1S/C15H17N5O3S2/c1-2-19-10-11(9-16-19)25(21,22)20-7-3-5-12(20)14-17-18-15(23-14)13-6-4-8-24-13/h4,6,8-10,12H,2-3,5,7H2,1H3
InChIKeyKWCYUCJYFPDSIA-UHFFFAOYSA-N
XLogP2.54
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247160
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571600
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
2-[(2R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571599
2-thiophen-2-yl-5-[(2R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 92569579
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92590169
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
(3R)-4-(1-ethylpyrazol-4-yl)sulfonyl-1-methyl-3-[(4-thiophen-2-ylphenyl)methyl]piperazin-2-one
CID 124993090
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
CID 110215743
3-[(2S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 138005808
(3S)-N-ethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 51896006

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 110217531) is 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is CCn1cc(S(=O)(=O)N2CCCC2c2nnc(-c3cccs3)o2)cn1.
What is the InChIKey of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is KWCYUCJYFPDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S2/c1-2-19-10-11(9-16-19)25(21,22)20-7-3-5-12(20)14-17-18-15(23-14)13-6-4-8-24-13/h4,6,8-10,12H,2-3,5,7H2,1H3.
What are the key properties of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 379.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110217531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).