oxadiazol-4-yl propanoate

C5H6N2O3 — CID 135263534

IUPACoxadiazol-4-yl propanoate
SMILESCCC(=O)Oc1conn1
InChIInChI=1S/C5H6N2O3/c1-2-5(8)10-4-3-9-7-6-4/h3H,2H2,1H3
InChIKeyHQNRGBUVMWLDIZ-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.38
Rot. Bonds2

About oxadiazol-4-yl propanoate

oxadiazol-4-yl propanoate (PubChem CID 135263534) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is oxadiazol-4-yl propanoate.

Molecular Properties

Compound Nameoxadiazol-4-yl propanoate
PubChem CID135263534
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Nameoxadiazol-4-yl propanoate
SMILESCCC(=O)Oc1conn1
InChIInChI=1S/C5H6N2O3/c1-2-5(8)10-4-3-9-7-6-4/h3H,2H2,1H3
InChIKeyHQNRGBUVMWLDIZ-UHFFFAOYSA-N
XLogP0.38
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxadiazol-4-yl propanoate 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 oxadiazol-4-yl propanoate?
The IUPAC name of oxadiazol-4-yl propanoate (CID 135263534) is oxadiazol-4-yl propanoate.
What is the SMILES notation for oxadiazol-4-yl propanoate?
The canonical SMILES for oxadiazol-4-yl propanoate is CCC(=O)Oc1conn1.
What is the InChIKey of oxadiazol-4-yl propanoate?
The InChIKey is HQNRGBUVMWLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-5(8)10-4-3-9-7-6-4/h3H,2H2,1H3.
What are the key properties of oxadiazol-4-yl propanoate?
oxadiazol-4-yl propanoate has a molecular weight of 142.11 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazol-4-yl propanoate is sourced from PubChem (CID 135263534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).