3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole

C17H13ClN4O2 — CID 166360091

IUPAC3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCOc1c(Cl)cccc1-c1noc(-c2ccc3cncn3c2C)n1
InChIInChI=1S/C17H13ClN4O2/c1-10-12(7-6-11-8-19-9-22(10)11)17-20-16(21-24-17)13-4-3-5-14(18)15(13)23-2/h3-9H,1-2H3
InChIKeySVJMMBBHAVFADB-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.02
Rot. Bonds3

About 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole

3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 166360091) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID166360091
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCOc1c(Cl)cccc1-c1noc(-c2ccc3cncn3c2C)n1
InChIInChI=1S/C17H13ClN4O2/c1-10-12(7-6-11-8-19-9-22(10)11)17-20-16(21-24-17)13-4-3-5-14(18)15(13)23-2/h3-9H,1-2H3
InChIKeySVJMMBBHAVFADB-UHFFFAOYSA-N
XLogP4.02
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 166360091) is 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole is COc1c(Cl)cccc1-c1noc(-c2ccc3cncn3c2C)n1.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is SVJMMBBHAVFADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-10-12(7-6-11-8-19-9-22(10)11)17-20-16(21-24-17)13-4-3-5-14(18)15(13)23-2/h3-9H,1-2H3.
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole?
3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 340.77 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166360091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).