3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole

C16H13N5O2S — CID 10449854

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(CSc3nc4ncccc4[nH]3)no2)c1
InChIInChI=1S/C16H13N5O2S/c1-22-11-5-2-4-10(8-11)15-19-13(21-23-15)9-24-16-18-12-6-3-7-17-14(12)20-16/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyGKCXMQKTLIXVNI-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.31
Rot. Bonds5

About 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole

3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 10449854) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID10449854
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(CSc3nc4ncccc4[nH]3)no2)c1
InChIInChI=1S/C16H13N5O2S/c1-22-11-5-2-4-10(8-11)15-19-13(21-23-15)9-24-16-18-12-6-3-7-17-14(12)20-16/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyGKCXMQKTLIXVNI-UHFFFAOYSA-N
XLogP3.31
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 10449854) is 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2nc(CSc3nc4ncccc4[nH]3)no2)c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GKCXMQKTLIXVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-22-11-5-2-4-10(8-11)15-19-13(21-23-15)9-24-16-18-12-6-3-7-17-14(12)20-16/h2-8H,9H2,1H3,(H,17,18,20).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 339.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 10449854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).