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

C14H17N3O — CID 935651

IUPAC5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CCCCC3)n2)nc1
InChIInChI=1S/C14H17N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyIUTRQTYVWSUSJZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.25
Rot. Bonds3

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

5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 935651) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID935651
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CCCCC3)n2)nc1
InChIInChI=1S/C14H17N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyIUTRQTYVWSUSJZ-UHFFFAOYSA-N
XLogP3.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 935651) is 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(-c2noc(CC3CCCCC3)n2)nc1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is IUTRQTYVWSUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 935651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).