cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C21H26N4O4S — CID 1453643

IUPACcyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C21H26N4O4S/c26-21(17-3-4-17)24-13-9-16(10-14-24)20-22-19(23-29-20)15-5-7-18(8-6-15)30(27,28)25-11-1-2-12-25/h5-8,16-17H,1-4,9-14H2
InChIKeyUEEXOLIVWUEJJL-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.64
Rot. Bonds5

About cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 1453643) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID1453643
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Namecyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C21H26N4O4S/c26-21(17-3-4-17)24-13-9-16(10-14-24)20-22-19(23-29-20)15-5-7-18(8-6-15)30(27,28)25-11-1-2-12-25/h5-8,16-17H,1-4,9-14H2
InChIKeyUEEXOLIVWUEJJL-UHFFFAOYSA-N
XLogP2.64
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone 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 cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 1453643) is cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1.
What is the InChIKey of cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UEEXOLIVWUEJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c26-21(17-3-4-17)24-13-9-16(10-14-24)20-22-19(23-29-20)15-5-7-18(8-6-15)30(27,28)25-11-1-2-12-25/h5-8,16-17H,1-4,9-14H2.
What are the key properties of cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 430.53 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 1453643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).