5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

C14H16N4O — CID 71974113

IUPAC5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(CC3CC4CCC3C4)n2)cn1
InChIInChI=1S/C14H16N4O/c1-2-10-5-9(1)6-11(10)7-13-17-14(18-19-13)12-8-15-3-4-16-12/h3-4,8-11H,1-2,5-7H2
InChIKeyFALBEHURFJYDIX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.51
Rot. Bonds3

About 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 71974113) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID71974113
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(CC3CC4CCC3C4)n2)cn1
InChIInChI=1S/C14H16N4O/c1-2-10-5-9(1)6-11(10)7-13-17-14(18-19-13)12-8-15-3-4-16-12/h3-4,8-11H,1-2,5-7H2
InChIKeyFALBEHURFJYDIX-UHFFFAOYSA-N
XLogP2.51
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 71974113) is 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is c1cnc(-c2noc(CC3CC4CCC3C4)n2)cn1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is FALBEHURFJYDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-10-5-9(1)6-11(10)7-13-17-14(18-19-13)12-8-15-3-4-16-12/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).