4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C18H16N6O — CID 72946661

IUPAC4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4C)ccn3)cc2)n1
InChIInChI=1S/C18H16N6O/c1-12-10-25-23-18(12)14-7-8-19-17(9-14)21-15-3-5-16(6-4-15)24-11-20-13(2)22-24/h3-11H,1-2H3,(H,19,21)
InChIKeyUTGPUHPCLJSYPL-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.68
Rot. Bonds4

About 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 72946661) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID72946661
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4C)ccn3)cc2)n1
InChIInChI=1S/C18H16N6O/c1-12-10-25-23-18(12)14-7-8-19-17(9-14)21-15-3-5-16(6-4-15)24-11-20-13(2)22-24/h3-11H,1-2H3,(H,19,21)
InChIKeyUTGPUHPCLJSYPL-UHFFFAOYSA-N
XLogP3.68
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 72946661) is 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Cc1ncn(-c2ccc(Nc3cc(-c4nocc4C)ccn3)cc2)n1.
What is the InChIKey of 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is UTGPUHPCLJSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-10-25-23-18(12)14-7-8-19-17(9-14)21-15-3-5-16(6-4-15)24-11-20-13(2)22-24/h3-11H,1-2H3,(H,19,21).
What are the key properties of 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 332.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2-oxazol-3-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 72946661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).