3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

C14H25N3O2 — CID 116740295

IUPAC3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESCCC(C)(OC)c1noc(CCC2CCCCN2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(2,18-3)13-16-12(19-17-13)9-8-11-7-5-6-10-15-11/h11,15H,4-10H2,1-3H3
InChIKeyMIJHAOJGDJCQED-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.42
Rot. Bonds6

About 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (PubChem CID 116740295) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
PubChem CID116740295
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESCCC(C)(OC)c1noc(CCC2CCCCN2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(2,18-3)13-16-12(19-17-13)9-8-11-7-5-6-10-15-11/h11,15H,4-10H2,1-3H3
InChIKeyMIJHAOJGDJCQED-UHFFFAOYSA-N
XLogP2.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-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

3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216210
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-(1-methoxy-2-methylpropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116702796
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842
3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 65421015
5-(azepan-2-yl)-3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740654
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527228
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (CID 116740295) is 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is CCC(C)(OC)c1noc(CCC2CCCCN2)n1.
What is the InChIKey of 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The InChIKey is MIJHAOJGDJCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(2,18-3)13-16-12(19-17-13)9-8-11-7-5-6-10-15-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116740295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).