5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine

C15H12N4O3 — CID 16762149

IUPAC5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1ccccc1-c1nnc(Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C15H12N4O3/c16-11-4-2-1-3-10(11)14-18-19-15(22-14)17-9-5-6-12-13(7-9)21-8-20-12/h1-7H,8,16H2,(H,17,19)
InChIKeyRQOLVECEJVZOSQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.79
Rot. Bonds3

About 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine

5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 16762149) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID16762149
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1ccccc1-c1nnc(Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C15H12N4O3/c16-11-4-2-1-3-10(11)14-18-19-15(22-14)17-9-5-6-12-13(7-9)21-8-20-12/h1-7H,8,16H2,(H,17,19)
InChIKeyRQOLVECEJVZOSQ-UHFFFAOYSA-N
XLogP2.79
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine 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 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine (CID 16762149) is 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine is Nc1ccccc1-c1nnc(Nc2ccc3c(c2)OCO3)o1.
What is the InChIKey of 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RQOLVECEJVZOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-11-4-2-1-3-10(11)14-18-19-15(22-14)17-9-5-6-12-13(7-9)21-8-20-12/h1-7H,8,16H2,(H,17,19).
What are the key properties of 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine?
5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 296.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 16762149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).