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

C15H27N3O2 — CID 106743668

IUPAC3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(C2CCNC(C)C2)n1)C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-19-12(15(3,4)5)13-17-14(20-18-13)11-7-8-16-10(2)9-11/h10-12,16H,6-9H2,1-5H3
InChIKeyMSNNVFNJKMTTTD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.05
Rot. Bonds4

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

3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743668) 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-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743668
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(C2CCNC(C)C2)n1)C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-19-12(15(3,4)5)13-17-14(20-18-13)11-7-8-16-10(2)9-11/h10-12,16H,6-9H2,1-5H3
InChIKeyMSNNVFNJKMTTTD-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(ethoxy)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743665
3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743655
5-(azepan-2-yl)-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704264
3-(tert-butylsulfanylmethyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743452
[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116704184
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743345
5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704042
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585
3-(3-ethyl-1,4-dithian-2-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743595
5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743668) is 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CCOC(c1noc(C2CCNC(C)C2)n1)C(C)(C)C.
What is the InChIKey of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MSNNVFNJKMTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-19-12(15(3,4)5)13-17-14(20-18-13)11-7-8-16-10(2)9-11/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 3.05, 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-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).