3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

C16H29N3O2 — CID 116702434

IUPAC3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC(OCC)c1noc(C2(CCC)CCNCC2)n1
InChIInChI=1S/C16H29N3O2/c1-4-7-13(20-6-3)14-18-15(21-19-14)16(8-5-2)9-11-17-12-10-16/h13,17H,4-12H2,1-3H3
InChIKeyHHAKMJDKIXSGSV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.37
Rot. Bonds8

About 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 116702434) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID116702434
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC(OCC)c1noc(C2(CCC)CCNCC2)n1
InChIInChI=1S/C16H29N3O2/c1-4-7-13(20-6-3)14-18-15(21-19-14)16(8-5-2)9-11-17-12-10-16/h13,17H,4-12H2,1-3H3
InChIKeyHHAKMJDKIXSGSV-UHFFFAOYSA-N
XLogP3.37
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116702435
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116702693
3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126026
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125830
3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 116730902
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
CID 116732822
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (CID 116702434) is 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is CCCC(OCC)c1noc(C2(CCC)CCNCC2)n1.
What is the InChIKey of 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is HHAKMJDKIXSGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-7-13(20-6-3)14-18-15(21-19-14)16(8-5-2)9-11-17-12-10-16/h13,17H,4-12H2,1-3H3.
What are the key properties of 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 295.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116702434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).