phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone

C14H9N3O2 — CID 2338542

IUPACphenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1ccccc1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H9N3O2/c18-12(10-4-2-1-3-5-10)14-17-16-13(19-14)11-6-8-15-9-7-11/h1-9H
InChIKeyNPLYGIRPYYNAQH-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.36
Rot. Bonds3

About phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone

phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 2338542) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID2338542
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Namephenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1ccccc1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H9N3O2/c18-12(10-4-2-1-3-5-10)14-17-16-13(19-14)11-6-8-15-9-7-11/h1-9H
InChIKeyNPLYGIRPYYNAQH-UHFFFAOYSA-N
XLogP2.36
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (CID 2338542) is phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1ccccc1)c1nnc(-c2ccncc2)o1.
What is the InChIKey of phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is NPLYGIRPYYNAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-12(10-4-2-1-3-5-10)14-17-16-13(19-14)11-6-8-15-9-7-11/h1-9H.
What are the key properties of phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 251.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 2338542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).