2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

C12H13N3O3S — CID 2408760

IUPAC2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(-c2nnco2)c1)N1CCCC1
InChIInChI=1S/C12H13N3O3S/c16-19(17,15-6-1-2-7-15)11-5-3-4-10(8-11)12-14-13-9-18-12/h3-5,8-9H,1-2,6-7H2
InChIKeyDYDSOXMAZWZAFZ-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.52
Rot. Bonds3

About 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole (PubChem CID 2408760) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
PubChem CID2408760
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(-c2nnco2)c1)N1CCCC1
InChIInChI=1S/C12H13N3O3S/c16-19(17,15-6-1-2-7-15)11-5-3-4-10(8-11)12-14-13-9-18-12/h3-5,8-9H,1-2,6-7H2
InChIKeyDYDSOXMAZWZAFZ-UHFFFAOYSA-N
XLogP1.52
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]sulfonyl]phenyl]-1,3,4-oxadiazole
CID 124726979
[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol
CID 126798770
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
CID 78850471
3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
CID 53218745
4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30823369
1-[5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863287
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228934
2-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-3-ol
CID 53218283
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 16625011
2-phenyl-5-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2079865
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708524
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220672

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole (CID 2408760) is 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole is O=S(=O)(c1cccc(-c2nnco2)c1)N1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
The InChIKey is DYDSOXMAZWZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-19(17,15-6-1-2-7-15)11-5-3-4-10(8-11)12-14-13-9-18-12/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole has a molecular weight of 279.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2408760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).