N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide

C14H16N4O2 — CID 7100785

IUPACN-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)o1)C1CCCCC1
InChIInChI=1S/C14H16N4O2/c19-12(10-4-2-1-3-5-10)16-14-18-17-13(20-14)11-6-8-15-9-7-11/h6-10H,1-5H2,(H,16,18,19)
InChIKeyPHJYIWJWYJKUEM-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.65
Rot. Bonds3

About N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide

N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 7100785) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
PubChem CID7100785
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)o1)C1CCCCC1
InChIInChI=1S/C14H16N4O2/c19-12(10-4-2-1-3-5-10)16-14-18-17-13(20-14)11-6-8-15-9-7-11/h6-10H,1-5H2,(H,16,18,19)
InChIKeyPHJYIWJWYJKUEM-UHFFFAOYSA-N
XLogP2.65
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide (CID 7100785) is N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nnc(-c2ccncc2)o1)C1CCCCC1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is PHJYIWJWYJKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-12(10-4-2-1-3-5-10)16-14-18-17-13(20-14)11-6-8-15-9-7-11/h6-10H,1-5H2,(H,16,18,19).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 7100785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).