3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

C17H25N5O3S — CID 90641803

IUPAC3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C17H25N5O3S/c1-12(2)21-10-16(18-11-21)26(23,24)22-7-3-4-13(9-22)8-15-19-17(20-25-15)14-5-6-14/h10-14H,3-9H2,1-2H3
InChIKeyLPKHMZPOUPWOTO-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.37
Rot. Bonds6

About 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 90641803) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID90641803
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C17H25N5O3S/c1-12(2)21-10-16(18-11-21)26(23,24)22-7-3-4-13(9-22)8-15-19-17(20-25-15)14-5-6-14/h10-14H,3-9H2,1-2H3
InChIKeyLPKHMZPOUPWOTO-UHFFFAOYSA-N
XLogP2.37
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 90641803) is 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is CC(C)n1cnc(S(=O)(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1.
What is the InChIKey of 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LPKHMZPOUPWOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-12(2)21-10-16(18-11-21)26(23,24)22-7-3-4-13(9-22)8-15-19-17(20-25-15)14-5-6-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 379.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 90641803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).