4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide

C13H17N5O2 — CID 106414056

IUPAC4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCc1noc(C)n1
InChIInChI=1S/C13H17N5O2/c1-8-17-12(18-20-8)5-6-16-11-7-9(14)3-4-10(11)13(19)15-2/h3-4,7,16H,5-6,14H2,1-2H3,(H,15,19)
InChIKeyZBBZTMDUAWHVBO-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.97
Rot. Bonds5

About 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide

4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide (PubChem CID 106414056) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
PubChem CID106414056
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCc1noc(C)n1
InChIInChI=1S/C13H17N5O2/c1-8-17-12(18-20-8)5-6-16-11-7-9(14)3-4-10(11)13(19)15-2/h3-4,7,16H,5-6,14H2,1-2H3,(H,15,19)
InChIKeyZBBZTMDUAWHVBO-UHFFFAOYSA-N
XLogP0.97
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106036023
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80681461
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
5-amino-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106407259
2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106422586
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 106392912
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide (CID 106414056) is 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide is CNC(=O)c1ccc(N)cc1NCCc1noc(C)n1.
What is the InChIKey of 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The InChIKey is ZBBZTMDUAWHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-17-12(18-20-8)5-6-16-11-7-9(14)3-4-10(11)13(19)15-2/h3-4,7,16H,5-6,14H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106414056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).