5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C16H25N5O — CID 56701285

IUPAC5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1CCc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C16H25N5O/c1-3-15-17-7-11-21(15)10-6-16-18-14(19-22-16)12-13-4-8-20(2)9-5-13/h7,11,13H,3-6,8-10,12H2,1-2H3
InChIKeyZMMQXNKTQNTJHN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds6

About 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56701285) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56701285
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1CCc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C16H25N5O/c1-3-15-17-7-11-21(15)10-6-16-18-14(19-22-16)12-13-4-8-20(2)9-5-13/h7,11,13H,3-6,8-10,12H2,1-2H3
InChIKeyZMMQXNKTQNTJHN-UHFFFAOYSA-N
XLogP1.96
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-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

Related Compounds

2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
CID 56722649
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232
4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
CID 142640348
(3R)-3-[[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95225307
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080068
N-methyl-3-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081578
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222882
N-methyl-1-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081022
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56701285) is 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCc1nccn1CCc1nc(CC2CCN(C)CC2)no1.
What is the InChIKey of 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is ZMMQXNKTQNTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-15-17-7-11-21(15)10-6-16-18-14(19-22-16)12-13-4-8-20(2)9-5-13/h7,11,13H,3-6,8-10,12H2,1-2H3.
What are the key properties of 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56701285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).