6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C9H7N5O2 — CID 169461911

IUPAC6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILES[N-]=[N+]=NCC=Cc1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H7N5O2/c10-14-12-3-1-2-6-4-7-8(11-5-6)13-9(15)16-7/h1-2,4-5H,3H2,(H,11,13,15)
InChIKeyYPIWZJIUWUZYFB-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.84
Rot. Bonds3

About 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 169461911) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID169461911
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC Name6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILES[N-]=[N+]=NCC=Cc1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H7N5O2/c10-14-12-3-1-2-6-4-7-8(11-5-6)13-9(15)16-7/h1-2,4-5H,3H2,(H,11,13,15)
InChIKeyYPIWZJIUWUZYFB-UHFFFAOYSA-N
XLogP1.84
TPSA107.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one 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 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 169461911) is 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is [N-]=[N+]=NCC=Cc1cnc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is YPIWZJIUWUZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c10-14-12-3-1-2-6-4-7-8(11-5-6)13-9(15)16-7/h1-2,4-5H,3H2,(H,11,13,15).
What are the key properties of 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 217.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azidoprop-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 169461911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).