1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C13H17N5O2 — CID 72872355

IUPAC1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H17N5O2/c1-9-11(17-20-16-9)7-12(19)18-6-2-3-10(8-18)13-14-4-5-15-13/h4-5,10H,2-3,6-8H2,1H3,(H,14,15)
InChIKeyROTFUBIKQBBGAZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.05
Rot. Bonds3

About 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 72872355) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID72872355
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H17N5O2/c1-9-11(17-20-16-9)7-12(19)18-6-2-3-10(8-18)13-14-4-5-15-13/h4-5,10H,2-3,6-8H2,1H3,(H,14,15)
InChIKeyROTFUBIKQBBGAZ-UHFFFAOYSA-N
XLogP1.05
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone 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 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 72872355) is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is ROTFUBIKQBBGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-11(17-20-16-9)7-12(19)18-6-2-3-10(8-18)13-14-4-5-15-13/h4-5,10H,2-3,6-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 275.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 72872355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).