3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole

C19H28N4O3S — CID 53155177

IUPAC3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C19H28N4O3S/c1-5-23-13(3)16(19-20-18(21-26-19)15-6-7-15)17(14(23)4)27(24,25)22-10-8-12(2)9-11-22/h12,15H,5-11H2,1-4H3
InChIKeyGDZPNGBRZOCKAM-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.47
Rot. Bonds5

About 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole (PubChem CID 53155177) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole
PubChem CID53155177
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C19H28N4O3S/c1-5-23-13(3)16(19-20-18(21-26-19)15-6-7-15)17(14(23)4)27(24,25)22-10-8-12(2)9-11-22/h12,15H,5-11H2,1-4H3
InChIKeyGDZPNGBRZOCKAM-UHFFFAOYSA-N
XLogP3.47
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-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-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole (CID 53155177) is 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole is CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)N2CCC(C)CC2)c1C.
What is the InChIKey of 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole?
The InChIKey is GDZPNGBRZOCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-5-23-13(3)16(19-20-18(21-26-19)15-6-7-15)17(14(23)4)27(24,25)22-10-8-12(2)9-11-22/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole has a molecular weight of 392.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-ethyl-2,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53155177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).