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

C15H27N3O2 — CID 116702693

IUPAC3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC(OC)c1noc(C2(CCC)CCCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-7-12(19-3)13-17-14(20-18-13)15(8-5-2)9-6-10-16-11-15/h12,16H,4-11H2,1-3H3
InChIKeyQZNIDMOPZJIBEK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.98
Rot. Bonds7

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

3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116702693) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID116702693
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC(OC)c1noc(C2(CCC)CCCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-7-12(19-3)13-17-14(20-18-13)15(8-5-2)9-6-10-16-11-15/h12,16H,4-11H2,1-3H3
InChIKeyQZNIDMOPZJIBEK-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.98
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
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509
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-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116702434
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116702512

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (CID 116702693) is 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is CCCC(OC)c1noc(C2(CCC)CCCNC2)n1.
What is the InChIKey of 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QZNIDMOPZJIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-12(19-3)13-17-14(20-18-13)15(8-5-2)9-6-10-16-11-15/h12,16H,4-11H2,1-3H3.
What are the key properties of 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116702693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).