5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole

C22H15ClN4O — CID 23433713

IUPAC5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole
SMILESCc1cccc(-c2ncoc2-c2ccc3nnc(-c4ccccc4Cl)n3c2)c1
InChIInChI=1S/C22H15ClN4O/c1-14-5-4-6-15(11-14)20-21(28-13-24-20)16-9-10-19-25-26-22(27(19)12-16)17-7-2-3-8-18(17)23/h2-13H,1H3
InChIKeyMVBBLRGRANXYEJ-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.68
Rot. Bonds3

About 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole

5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole (PubChem CID 23433713) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole
PubChem CID23433713
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole
SMILESCc1cccc(-c2ncoc2-c2ccc3nnc(-c4ccccc4Cl)n3c2)c1
InChIInChI=1S/C22H15ClN4O/c1-14-5-4-6-15(11-14)20-21(28-13-24-20)16-9-10-19-25-26-22(27(19)12-16)17-7-2-3-8-18(17)23/h2-13H,1H3
InChIKeyMVBBLRGRANXYEJ-UHFFFAOYSA-N
XLogP5.68
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole (CID 23433713) is 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole is Cc1cccc(-c2ncoc2-c2ccc3nnc(-c4ccccc4Cl)n3c2)c1.
What is the InChIKey of 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole?
The InChIKey is MVBBLRGRANXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-14-5-4-6-15(11-14)20-21(28-13-24-20)16-9-10-19-25-26-22(27(19)12-16)17-7-2-3-8-18(17)23/h2-13H,1H3.
What are the key properties of 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole?
5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole has a molecular weight of 386.84 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(3-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 23433713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).