N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide

C20H17N3O4 — CID 6494897

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H17N3O4/c1-2-10-23(20(24)15-8-9-16-17(11-15)26-13-25-16)12-18-21-19(22-27-18)14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2
InChIKeyRLDOOZOGABKISX-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.29
Rot. Bonds6

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide (PubChem CID 6494897) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
PubChem CID6494897
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H17N3O4/c1-2-10-23(20(24)15-8-9-16-17(11-15)26-13-25-16)12-18-21-19(22-27-18)14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2
InChIKeyRLDOOZOGABKISX-UHFFFAOYSA-N
XLogP3.29
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide 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 N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide (CID 6494897) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide is C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is RLDOOZOGABKISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-2-10-23(20(24)15-8-9-16-17(11-15)26-13-25-16)12-18-21-19(22-27-18)14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 6494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).