ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C17H14N2O5 — CID 2091082

IUPACethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12
InChIInChI=1S/C17H14N2O5/c1-3-21-17(20)11-7-12(18-16-15(11)9(2)19-24-16)10-4-5-13-14(6-10)23-8-22-13/h4-7H,3,8H2,1-2H3
InChIKeyUZWPULKPZLNEGI-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.10
Rot. Bonds3

About ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2091082) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2091082
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Nameethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12
InChIInChI=1S/C17H14N2O5/c1-3-21-17(20)11-7-12(18-16-15(11)9(2)19-24-16)10-4-5-13-14(6-10)23-8-22-13/h4-7H,3,8H2,1-2H3
InChIKeyUZWPULKPZLNEGI-UHFFFAOYSA-N
XLogP3.10
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

7,8-Dimethoxy-5-methyl-1-phenylisoxazolo[5,4-c]isoquinoline
CID 878649
3-(1,3-Benzodioxol-5-yl)-4-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole
CID 24761353
N-[(3,4-dimethoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71555057
Methyl 6-(4-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 9454189
Methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9459641
[4-(2-Oxopyrrolidin-1-yl)phenyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 45864873
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134789257
2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 134807381
Methyl 6-(1,3-benzodioxol-5-yl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 8833981
6-(4-Methoxyphenyl)-3-methyl-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 16641424
6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134791082
6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802400

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 2091082) is ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12.
What is the InChIKey of ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is UZWPULKPZLNEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-3-21-17(20)11-7-12(18-16-15(11)9(2)19-24-16)10-4-5-13-14(6-10)23-8-22-13/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 326.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2091082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).