5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole

C15H16FN3O3S — CID 91905605

IUPAC5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C15H16FN3O3S/c16-12-3-5-13(6-4-12)23(20,21)19-8-7-11(9-19)14-17-15(22-18-14)10-1-2-10/h3-6,10-11H,1-2,7-9H2
InChIKeyAQUJILBGMWQANJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.26
Rot. Bonds4

About 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 91905605) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID91905605
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C15H16FN3O3S/c16-12-3-5-13(6-4-12)23(20,21)19-8-7-11(9-19)14-17-15(22-18-14)10-1-2-10/h3-6,10-11H,1-2,7-9H2
InChIKeyAQUJILBGMWQANJ-UHFFFAOYSA-N
XLogP2.26
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole (CID 91905605) is 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is AQUJILBGMWQANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-12-3-5-13(6-4-12)23(20,21)19-8-7-11(9-19)14-17-15(22-18-14)10-1-2-10/h3-6,10-11H,1-2,7-9H2.
What are the key properties of 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 91905605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).