2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole

C18H13N5OS — CID 4882056

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(-c3nnc(SCc4cn5ccccc5n4)o3)c[nH]c2c1
InChIInChI=1S/C18H13N5OS/c1-2-6-15-13(5-1)14(9-19-15)17-21-22-18(24-17)25-11-12-10-23-8-4-3-7-16(23)20-12/h1-10,19H,11H2
InChIKeyIAUUCTVVNDQFFL-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.16
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 4882056) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID4882056
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(-c3nnc(SCc4cn5ccccc5n4)o3)c[nH]c2c1
InChIInChI=1S/C18H13N5OS/c1-2-6-15-13(5-1)14(9-19-15)17-21-22-18(24-17)25-11-12-10-23-8-4-3-7-16(23)20-12/h1-10,19H,11H2
InChIKeyIAUUCTVVNDQFFL-UHFFFAOYSA-N
XLogP4.16
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole (CID 4882056) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole is c1ccc2c(-c3nnc(SCc4cn5ccccc5n4)o3)c[nH]c2c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is IAUUCTVVNDQFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-2-6-15-13(5-1)14(9-19-15)17-21-22-18(24-17)25-11-12-10-23-8-4-3-7-16(23)20-12/h1-10,19H,11H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 347.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 4882056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).