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

C13H10N4O — CID 6461912

IUPAC2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H10N4O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H,14H2
InChIKeyUZFZCILKWNQMBU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds2

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

2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 6461912) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID6461912
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H10N4O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H,14H2
InChIKeyUZFZCILKWNQMBU-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline (CID 6461912) is 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline is Nc1ccccc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is UZFZCILKWNQMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H,14H2.
What are the key properties of 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline?
2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 238.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 6461912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).