methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate

C8H7N3O3 — CID 118867675

IUPACmethyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(N)noc2n1
InChIInChI=1S/C8H7N3O3/c1-13-8(12)5-3-2-4-6(9)11-14-7(4)10-5/h2-3H,1H3,(H2,9,11)
InChIKeyBTHMBXPJTSSBEV-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.59
Rot. Bonds1

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

methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 118867675) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
PubChem CID118867675
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Namemethyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(N)noc2n1
InChIInChI=1S/C8H7N3O3/c1-13-8(12)5-3-2-4-6(9)11-14-7(4)10-5/h2-3H,1H3,(H2,9,11)
InChIKeyBTHMBXPJTSSBEV-UHFFFAOYSA-N
XLogP0.59
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate (CID 118867675) is methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1ccc2c(N)noc2n1.
What is the InChIKey of methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is BTHMBXPJTSSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-13-8(12)5-3-2-4-6(9)11-14-7(4)10-5/h2-3H,1H3,(H2,9,11).
What are the key properties of methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 193.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 118867675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).