3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C16H8N3O4- — CID 9464173

IUPAC3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nc2onc(-c3ccco3)c12
InChIInChI=1S/C16H9N3O4/c20-16(21)10-7-11(9-3-1-5-17-8-9)18-15-13(10)14(19-23-15)12-4-2-6-22-12/h1-8H,(H,20,21)/p-1
InChIKeyPPBLLKPUQCLBSD-UHFFFAOYSA-M
MW306.26 g/mol
LogP1.91
Rot. Bonds3

About 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 9464173) has the molecular formula C16H8N3O4- and a molecular weight of 306.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID9464173
Molecular FormulaC16H8N3O4-
Molecular Weight306.26 g/mol
Exact Mass306.05
IUPAC Name3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nc2onc(-c3ccco3)c12
InChIInChI=1S/C16H9N3O4/c20-16(21)10-7-11(9-3-1-5-17-8-9)18-15-13(10)14(19-23-15)12-4-2-6-22-12/h1-8H,(H,20,21)/p-1
InChIKeyPPBLLKPUQCLBSD-UHFFFAOYSA-M
XLogP1.91
TPSA105.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(furan-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]propanamide
CID 59683102
3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate
CID 7037984
6-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19615714
furan-2-yl-[4-[6-(furan-2-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 19615775
6-(2-fluoro-4-methoxyphenyl)-3-(furan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9464094
6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315319
[6-cyclopropyl-3-(furan-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 51081112
methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 44824411
N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315249
2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 139219253
6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315369
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 9464173) is 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is O=C([O-])c1cc(-c2cccnc2)nc2onc(-c3ccco3)c12.
What is the InChIKey of 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is PPBLLKPUQCLBSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9N3O4/c20-16(21)10-7-11(9-3-1-5-17-8-9)18-15-13(10)14(19-23-15)12-4-2-6-22-12/h1-8H,(H,20,21)/p-1.
What are the key properties of 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 306.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 9464173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).