5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole

C15H19N3O2 — CID 126813335

IUPAC5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cc(C)ccn3)no2)CCCCC1
InChIInChI=1S/C15H19N3O2/c1-11-6-9-16-12(10-11)13-17-14(20-18-13)15(19-2)7-4-3-5-8-15/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyKBAVHVUADOOAEU-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.25
Rot. Bonds3

About 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole

5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 126813335) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID126813335
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cc(C)ccn3)no2)CCCCC1
InChIInChI=1S/C15H19N3O2/c1-11-6-9-16-12(10-11)13-17-14(20-18-13)15(19-2)7-4-3-5-8-15/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyKBAVHVUADOOAEU-UHFFFAOYSA-N
XLogP3.25
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 126813335) is 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is COC1(c2nc(-c3cc(C)ccn3)no2)CCCCC1.
What is the InChIKey of 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is KBAVHVUADOOAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-6-9-16-12(10-11)13-17-14(20-18-13)15(19-2)7-4-3-5-8-15/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126813335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).