5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole

C15H18N4O — CID 133475123

IUPAC5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1
InChIInChI=1S/C15H18N4O/c1-2-8-16-13(3-1)19-9-6-11(7-10-19)14-17-15(20-18-14)12-4-5-12/h1-3,8,11-12H,4-7,9-10H2
InChIKeyOQOFEXAGWLUXLX-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.73
Rot. Bonds3

About 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 133475123) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID133475123
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1
InChIInChI=1S/C15H18N4O/c1-2-8-16-13(3-1)19-9-6-11(7-10-19)14-17-15(20-18-14)12-4-5-12/h1-3,8,11-12H,4-7,9-10H2
InChIKeyOQOFEXAGWLUXLX-UHFFFAOYSA-N
XLogP2.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1-chloroisoquinolin-3-yl)piperidin-4-yl]-5-cyclopropyl-1,2,4-oxadiazole
CID 133475197
3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 133475838
5-cyclopropyl-3-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893518
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 133475215
[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol
CID 133475185
5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133474987
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110224443
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133475245
5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 127671228
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399
5-cyclopropyl-3-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 133474973
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine
CID 167972774

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 133475123) is 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole is c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1.
What is the InChIKey of 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is OQOFEXAGWLUXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-8-16-13(3-1)19-9-6-11(7-10-19)14-17-15(20-18-14)12-4-5-12/h1-3,8,11-12H,4-7,9-10H2.
What are the key properties of 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 270.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 133475123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).