2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C14H12N4O — CID 104742918

IUPAC2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1ccccc1-c1noc(-c2ncccc2N)n1
InChIInChI=1S/C14H12N4O/c1-9-5-2-3-6-10(9)13-17-14(19-18-13)12-11(15)7-4-8-16-12/h2-8H,15H2,1H3
InChIKeyAWMIHAKDYVWJGU-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

About 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 104742918) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID104742918
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1ccccc1-c1noc(-c2ncccc2N)n1
InChIInChI=1S/C14H12N4O/c1-9-5-2-3-6-10(9)13-17-14(19-18-13)12-11(15)7-4-8-16-12/h2-8H,15H2,1H3
InChIKeyAWMIHAKDYVWJGU-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

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Related Compounds

2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62340328
5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 125180484
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329336
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742960
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743010
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 136984510
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 46265169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 104742918) is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Cc1ccccc1-c1noc(-c2ncccc2N)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is AWMIHAKDYVWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-5-2-3-6-10(9)13-17-14(19-18-13)12-11(15)7-4-8-16-12/h2-8H,15H2,1H3.
What are the key properties of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 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-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 104742918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).