ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate

C9H8N2O3 — CID 177213860

IUPACethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccncc2o1
InChIInChI=1S/C9H8N2O3/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h3-5H,2H2,1H3
InChIKeyBJLXLIXKEKEIOQ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.40
Rot. Bonds2

About ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate

ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 177213860) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate
PubChem CID177213860
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Nameethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccncc2o1
InChIInChI=1S/C9H8N2O3/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h3-5H,2H2,1H3
InChIKeyBJLXLIXKEKEIOQ-UHFFFAOYSA-N
XLogP1.40
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate (CID 177213860) is ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate is CCOC(=O)c1nc2ccncc2o1.
What is the InChIKey of ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is BJLXLIXKEKEIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h3-5H,2H2,1H3.
What are the key properties of ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate?
ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 177213860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).