3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole

C16H17N5O3S — CID 91905565

IUPAC3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCn1cnc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c1
InChIInChI=1S/C16H17N5O3S/c1-20-10-14(17-11-20)25(22,23)21-8-7-13(9-21)15-18-16(24-19-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyQFIMAGDQNJIWAH-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.65
Rot. Bonds4

About 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole

3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 91905565) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID91905565
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCn1cnc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c1
InChIInChI=1S/C16H17N5O3S/c1-20-10-14(17-11-20)25(22,23)21-8-7-13(9-21)15-18-16(24-19-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyQFIMAGDQNJIWAH-UHFFFAOYSA-N
XLogP1.65
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole (CID 91905565) is 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole is Cn1cnc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c1.
What is the InChIKey of 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is QFIMAGDQNJIWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-20-10-14(17-11-20)25(22,23)21-8-7-13(9-21)15-18-16(24-19-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3.
What are the key properties of 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 359.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 91905565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).