2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole

C16H28N4O — CID 75615688

IUPAC2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCN1CCC(N2CCC(c3nnc(C(C)(C)C)o3)C2)CC1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-18-17-14(21-15)12-5-10-20(11-12)13-6-8-19(4)9-7-13/h12-13H,5-11H2,1-4H3
InChIKeyZUIGYIUMPQDQQD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.25
Rot. Bonds2

About 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole

2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 75615688) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID75615688
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCN1CCC(N2CCC(c3nnc(C(C)(C)C)o3)C2)CC1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-18-17-14(21-15)12-5-10-20(11-12)13-6-8-19(4)9-7-13/h12-13H,5-11H2,1-4H3
InChIKeyZUIGYIUMPQDQQD-UHFFFAOYSA-N
XLogP2.25
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-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 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 75615688) is 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole is CN1CCC(N2CCC(c3nnc(C(C)(C)C)o3)C2)CC1.
What is the InChIKey of 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is ZUIGYIUMPQDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)15-18-17-14(21-15)12-5-10-20(11-12)13-6-8-19(4)9-7-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 75615688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).