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

C14H12N2O3S — CID 2125372

IUPACethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2onc(C)c12
InChIInChI=1S/C14H12N2O3S/c1-3-18-14(17)9-7-10(11-5-4-6-20-11)15-13-12(9)8(2)16-19-13/h4-7H,3H2,1-2H3
InChIKeyXSUSZVZRZLIAQA-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.44
Rot. Bonds3

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

ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2125372) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2125372
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Nameethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2onc(C)c12
InChIInChI=1S/C14H12N2O3S/c1-3-18-14(17)9-7-10(11-5-4-6-20-11)15-13-12(9)8(2)16-19-13/h4-7H,3H2,1-2H3
InChIKeyXSUSZVZRZLIAQA-UHFFFAOYSA-N
XLogP3.44
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 2125372) is ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2cccs2)nc2onc(C)c12.
What is the InChIKey of ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is XSUSZVZRZLIAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-3-18-14(17)9-7-10(11-5-4-6-20-11)15-13-12(9)8(2)16-19-13/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2125372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).