ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C10H10N2O4 — CID 135444872

IUPACethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2onc(C)c2c1=O
InChIInChI=1S/C10H10N2O4/c1-3-15-10(14)6-4-11-9-7(8(6)13)5(2)12-16-9/h4H,3H2,1-2H3,(H,11,13)
InChIKeyJPLHVMJHJQXEQM-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.00
Rot. Bonds2

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

ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135444872) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135444872
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Nameethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2onc(C)c2c1=O
InChIInChI=1S/C10H10N2O4/c1-3-15-10(14)6-4-11-9-7(8(6)13)5(2)12-16-9/h4H,3H2,1-2H3,(H,11,13)
InChIKeyJPLHVMJHJQXEQM-UHFFFAOYSA-N
XLogP1.00
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 135444872) is ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)c1c[nH]c2onc(C)c2c1=O.
What is the InChIKey of ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is JPLHVMJHJQXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-3-15-10(14)6-4-11-9-7(8(6)13)5(2)12-16-9/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135444872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).