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

C14H12N4O — CID 28539900

IUPAC2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1ccc(-c2nc(-c3ccncc3)no2)cc1N
InChIInChI=1S/C14H12N4O/c1-9-2-3-11(8-12(9)15)14-17-13(18-19-14)10-4-6-16-7-5-10/h2-8H,15H2,1H3
InChIKeyBQAZDQAHUIMMMZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

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

2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 28539900) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID28539900
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1ccc(-c2nc(-c3ccncc3)no2)cc1N
InChIInChI=1S/C14H12N4O/c1-9-2-3-11(8-12(9)15)14-17-13(18-19-14)10-4-6-16-7-5-10/h2-8H,15H2,1H3
InChIKeyBQAZDQAHUIMMMZ-UHFFFAOYSA-N
XLogP2.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.69
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-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 28539900) is 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline is Cc1ccc(-c2nc(-c3ccncc3)no2)cc1N.
What is the InChIKey of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is BQAZDQAHUIMMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-2-3-11(8-12(9)15)14-17-13(18-19-14)10-4-6-16-7-5-10/h2-8H,15H2,1H3.
What are the key properties of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 252.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 28539900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).