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

C16H12ClN5O — CID 53173278

IUPAC5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(Cc4cccc(Cl)c4)n3)cn12
InChIInChI=1S/C16H12ClN5O/c1-10-19-20-14-6-5-12(9-22(10)14)16-18-15(23-21-16)8-11-3-2-4-13(17)7-11/h2-7,9H,8H2,1H3
InChIKeyRSMOQNZAAHJEBK-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.33
Rot. Bonds3

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

5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173278) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173278
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(Cc4cccc(Cl)c4)n3)cn12
InChIInChI=1S/C16H12ClN5O/c1-10-19-20-14-6-5-12(9-22(10)14)16-18-15(23-21-16)8-11-3-2-4-13(17)7-11/h2-7,9H,8H2,1H3
InChIKeyRSMOQNZAAHJEBK-UHFFFAOYSA-N
XLogP3.33
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173278) is 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Cc1nnc2ccc(-c3noc(Cc4cccc(Cl)c4)n3)cn12.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is RSMOQNZAAHJEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-10-19-20-14-6-5-12(9-22(10)14)16-18-15(23-21-16)8-11-3-2-4-13(17)7-11/h2-7,9H,8H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 325.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).