2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole

C17H13ClN4O — CID 99962742

IUPAC2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCc1ccn2c(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc2c1
InChIInChI=1S/C17H13ClN4O/c1-10-7-8-22-14(9-10)19-11(2)15(22)17-21-20-16(23-17)12-3-5-13(18)6-4-12/h3-9H,1-2H3
InChIKeyGLURTFAAEYHXDW-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.32
Rot. Bonds2

About 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole (PubChem CID 99962742) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
PubChem CID99962742
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCc1ccn2c(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc2c1
InChIInChI=1S/C17H13ClN4O/c1-10-7-8-22-14(9-10)19-11(2)15(22)17-21-20-16(23-17)12-3-5-13(18)6-4-12/h3-9H,1-2H3
InChIKeyGLURTFAAEYHXDW-UHFFFAOYSA-N
XLogP4.32
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole (CID 99962742) is 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole is Cc1ccn2c(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole?
The InChIKey is GLURTFAAEYHXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-10-7-8-22-14(9-10)19-11(2)15(22)17-21-20-16(23-17)12-3-5-13(18)6-4-12/h3-9H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole has a molecular weight of 324.77 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).