3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C14H25N3O2 — CID 116704055

IUPAC3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCOC(c1noc(C2(C)CCNCC2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-13(2,3)10(18-5)11-16-12(19-17-11)14(4)6-8-15-9-7-14/h10,15H,6-9H2,1-5H3
InChIKeyJTZXTMAYGBYMST-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.44
Rot. Bonds3

About 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 116704055) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID116704055
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCOC(c1noc(C2(C)CCNCC2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-13(2,3)10(18-5)11-16-12(19-17-11)14(4)6-8-15-9-7-14/h10,15H,6-9H2,1-5H3
InChIKeyJTZXTMAYGBYMST-UHFFFAOYSA-N
XLogP2.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-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

Related Compounds

3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116704241
[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116704065
5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704042
5-(4-methylpiperidin-4-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 63124239
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978023
3-(1-ethoxycyclopentyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116741484
3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65130645

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 116704055) is 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is COC(c1noc(C2(C)CCNCC2)n1)C(C)(C)C.
What is the InChIKey of 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is JTZXTMAYGBYMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)10(18-5)11-16-12(19-17-11)14(4)6-8-15-9-7-14/h10,15H,6-9H2,1-5H3.
What are the key properties of 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).