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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Related Compounds

2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63744294
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813854
2-methyl-4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847232
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618

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).