3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

C13H21N3O2 — CID 116703367

IUPAC3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(CC2CCCNC2)n1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-17-12(10-4-5-10)13-15-11(18-16-13)7-9-3-2-6-14-8-9/h9-10,12,14H,2-8H2,1H3
InChIKeyQZQMLJMKWYIBKY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.71
Rot. Bonds5

About 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116703367) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID116703367
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(CC2CCCNC2)n1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-17-12(10-4-5-10)13-15-11(18-16-13)7-9-3-2-6-14-8-9/h9-10,12,14H,2-8H2,1H3
InChIKeyQZQMLJMKWYIBKY-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 102926760
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
5-(2-chloroethyl)-3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazole
CID 116701127
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116703444
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116703530
5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 116703367) is 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is COC(c1noc(CC2CCCNC2)n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is QZQMLJMKWYIBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-12(10-4-5-10)13-15-11(18-16-13)7-9-3-2-6-14-8-9/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116703367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).