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

C15H27N3O2 — CID 116704241

IUPAC3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(C2(C)CCCNC2)n1)C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-19-11(14(2,3)4)12-17-13(20-18-12)15(5)8-7-9-16-10-15/h11,16H,6-10H2,1-5H3
InChIKeyDSDWHRWCLAPMEA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.83
Rot. Bonds4

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

3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116704241) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID116704241
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(C2(C)CCCNC2)n1)C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-19-11(14(2,3)4)12-17-13(20-18-12)15(5)8-7-9-16-10-15/h11,16H,6-10H2,1-5H3
InChIKeyDSDWHRWCLAPMEA-UHFFFAOYSA-N
XLogP2.83
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978023
3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116740897
3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704055
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138006
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
3-[cyclopropyl(ethoxy)methyl]-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 116703835
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743666
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116703045

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole (CID 116704241) is 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole is CCOC(c1noc(C2(C)CCCNC2)n1)C(C)(C)C.
What is the InChIKey of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is DSDWHRWCLAPMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-19-11(14(2,3)4)12-17-13(20-18-12)15(5)8-7-9-16-10-15/h11,16H,6-10H2,1-5H3.
What are the key properties of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116704241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).