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

C15H27N3O2 — CID 116740897

IUPAC3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(CC)(CC)c1noc(C2(C)CCCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-5-15(6-2,19-7-3)12-17-13(20-18-12)14(4)9-8-10-16-11-14/h16H,5-11H2,1-4H3
InChIKeyNBAUYUQESPFDBY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds6

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

3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116740897) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID116740897
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(CC)(CC)c1noc(C2(C)CCCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-5-15(6-2,19-7-3)12-17-13(20-18-12)14(4)9-8-10-16-11-14/h16H,5-11H2,1-4H3
InChIKeyNBAUYUQESPFDBY-UHFFFAOYSA-N
XLogP2.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116740899
5-(3-ethylpiperidin-3-yl)-3-(3-methoxypentan-3-yl)-1,2,4-oxadiazole
CID 116741140
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116740891
3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116704241
3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116740626
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132
3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138006
3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912074
3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116704540
3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
3-(3-ethoxypentan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900872

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole (CID 116740897) is 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole is CCOC(CC)(CC)c1noc(C2(C)CCCNC2)n1.
What is the InChIKey of 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is NBAUYUQESPFDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-15(6-2,19-7-3)12-17-13(20-18-12)14(4)9-8-10-16-11-14/h16H,5-11H2,1-4H3.
What are the key properties of 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116740897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).