5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

C14H19N5O — CID 79609646

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CC3CC4CCC(C3)N4)n2)cn1
InChIInChI=1S/C14H19N5O/c1-19-8-10(7-15-19)14-17-13(20-18-14)6-9-4-11-2-3-12(5-9)16-11/h7-9,11-12,16H,2-6H2,1H3
InChIKeyRZVXJSZJELGWOF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.54
Rot. Bonds3

About 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 79609646) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID79609646
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CC3CC4CCC(C3)N4)n2)cn1
InChIInChI=1S/C14H19N5O/c1-19-8-10(7-15-19)14-17-13(20-18-14)6-9-4-11-2-3-12(5-9)16-11/h7-9,11-12,16H,2-6H2,1H3
InChIKeyRZVXJSZJELGWOF-UHFFFAOYSA-N
XLogP1.54
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 79609646) is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(CC3CC4CCC(C3)N4)n2)cn1.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is RZVXJSZJELGWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-8-10(7-15-19)14-17-13(20-18-14)6-9-4-11-2-3-12(5-9)16-11/h7-9,11-12,16H,2-6H2,1H3.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79609646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).