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

C14H12N4O — CID 55165620

IUPAC5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1ccccc1-c1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C14H12N4O/c1-9-4-2-3-5-12(9)13-17-14(19-18-13)10-6-11(15)8-16-7-10/h2-8H,15H2,1H3
InChIKeyBXIYZKQTFHSDSJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

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

5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 55165620) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID55165620
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1ccccc1-c1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C14H12N4O/c1-9-4-2-3-5-12(9)13-17-14(19-18-13)10-6-11(15)8-16-7-10/h2-8H,15H2,1H3
InChIKeyBXIYZKQTFHSDSJ-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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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 55165620) is 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Cc1ccccc1-c1noc(-c2cncc(N)c2)n1.
What is the InChIKey of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is BXIYZKQTFHSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-4-2-3-5-12(9)13-17-14(19-18-13)10-6-11(15)8-16-7-10/h2-8H,15H2,1H3.
What are the key properties of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[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 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 55165620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).