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

C8H6N2O3 — CID 130048290

IUPACmethyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2ocnc2n1
InChIInChI=1S/C8H6N2O3/c1-12-8(11)5-2-3-6-7(10-5)9-4-13-6/h2-4H,1H3
InChIKeyDKCLHLIVQZATPY-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.01
Rot. Bonds1

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

methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate (PubChem CID 130048290) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate
PubChem CID130048290
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Namemethyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2ocnc2n1
InChIInChI=1S/C8H6N2O3/c1-12-8(11)5-2-3-6-7(10-5)9-4-13-6/h2-4H,1H3
InChIKeyDKCLHLIVQZATPY-UHFFFAOYSA-N
XLogP1.01
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3]oxazolo[4,5-b]pyridin-5-ylmethanol
CID 91666249
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
CID 118867675
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 4-chloro-1,3-oxazole-5-carboxylate
CID 131699557
methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
CID 118644349
methyl furo[2,3-b]pyrazine-2-carboxylate
CID 118656900
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891

Frequently Asked Questions

What is the IUPAC name of methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate (CID 130048290) is methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2ocnc2n1.
What is the InChIKey of methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate?
The InChIKey is DKCLHLIVQZATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c1-12-8(11)5-2-3-6-7(10-5)9-4-13-6/h2-4H,1H3.
What are the key properties of methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate?
methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate has a molecular weight of 178.15 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 130048290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).