methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate

C9H8N2O4 — CID 22633103

IUPACmethyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
SMILESCOC(=O)c1noc2c(OC)ccnc12
InChIInChI=1S/C9H8N2O4/c1-13-5-3-4-10-6-7(9(12)14-2)11-15-8(5)6/h3-4H,1-2H3
InChIKeyHDKZJHPSYDOVSB-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.02
Rot. Bonds2

About methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate

methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate (PubChem CID 22633103) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
PubChem CID22633103
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Namemethyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
SMILESCOC(=O)c1noc2c(OC)ccnc12
InChIInChI=1S/C9H8N2O4/c1-13-5-3-4-10-6-7(9(12)14-2)11-15-8(5)6/h3-4H,1-2H3
InChIKeyHDKZJHPSYDOVSB-UHFFFAOYSA-N
XLogP1.02
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-4-methoxypyridine-2-carboxylate
CID 146485180
methyl 2-amino-4-methoxypyridine-3-carboxylate
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methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
methyl 5-methoxy-1,2-benzoxazole-3-carboxylate
CID 84820117
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate
CID 135984745
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
CID 121005993
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate?
The IUPAC name of methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate (CID 22633103) is methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate is COC(=O)c1noc2c(OC)ccnc12.
What is the InChIKey of methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate?
The InChIKey is HDKZJHPSYDOVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-13-5-3-4-10-6-7(9(12)14-2)11-15-8(5)6/h3-4H,1-2H3.
What are the key properties of methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate?
methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate has a molecular weight of 208.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate is sourced from PubChem (CID 22633103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).