methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate

C17H13N5O3 — CID 86815570

IUPACmethyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2noc(-c3cnc4c(c3)ncn4C)n2)c1
InChIInChI=1S/C17H13N5O3/c1-22-9-19-13-7-12(8-18-15(13)22)16-20-14(21-25-16)10-4-3-5-11(6-10)17(23)24-2/h3-9H,1-2H3
InChIKeyMRSATPYFGKAZNQ-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.47
Rot. Bonds3

About methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate

methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 86815570) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID86815570
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Namemethyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2noc(-c3cnc4c(c3)ncn4C)n2)c1
InChIInChI=1S/C17H13N5O3/c1-22-9-19-13-7-12(8-18-15(13)22)16-20-14(21-25-16)10-4-3-5-11(6-10)17(23)24-2/h3-9H,1-2H3
InChIKeyMRSATPYFGKAZNQ-UHFFFAOYSA-N
XLogP2.47
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate (CID 86815570) is methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate is COC(=O)c1cccc(-c2noc(-c3cnc4c(c3)ncn4C)n2)c1.
What is the InChIKey of methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is MRSATPYFGKAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-22-9-19-13-7-12(8-18-15(13)22)16-20-14(21-25-16)10-4-3-5-11(6-10)17(23)24-2/h3-9H,1-2H3.
What are the key properties of methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate?
methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 335.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 86815570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).