methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate

C10H11N3O4 — CID 68878801

IUPACmethyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1=CC2=CNON2C=C1
InChIInChI=1S/C10H11N3O4/c1-16-9(14)6-11-10(15)7-2-3-13-8(4-7)5-12-17-13/h2-5,12H,6H2,1H3,(H,11,15)
InChIKeyHZFAYFSCQXZFMY-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.68
Rot. Bonds3

About methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate

methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate (PubChem CID 68878801) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate
PubChem CID68878801
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1=CC2=CNON2C=C1
InChIInChI=1S/C10H11N3O4/c1-16-9(14)6-11-10(15)7-2-3-13-8(4-7)5-12-17-13/h2-5,12H,6H2,1H3,(H,11,15)
InChIKeyHZFAYFSCQXZFMY-UHFFFAOYSA-N
XLogP-0.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate?
The IUPAC name of methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate (CID 68878801) is methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate?
The canonical SMILES for methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate is COC(=O)CNC(=O)C1=CC2=CNON2C=C1.
What is the InChIKey of methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate?
The InChIKey is HZFAYFSCQXZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-16-9(14)6-11-10(15)7-2-3-13-8(4-7)5-12-17-13/h2-5,12H,6H2,1H3,(H,11,15).
What are the key properties of methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate?
methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate has a molecular weight of 237.22 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2H-[1,2,5]oxadiazolo[2,3-a]pyridine-5-carbonylamino)acetate is sourced from PubChem (CID 68878801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).