2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

C10H11N3O — CID 39238145

IUPAC2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2cccc(N)c2C)o1
InChIInChI=1S/C10H11N3O/c1-6-8(4-3-5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKeyADKGIIBLLKNCCX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.94
Rot. Bonds1

About 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 39238145) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID39238145
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2cccc(N)c2C)o1
InChIInChI=1S/C10H11N3O/c1-6-8(4-3-5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKeyADKGIIBLLKNCCX-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline 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 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 39238145) is 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is Cc1nnc(-c2cccc(N)c2C)o1.
What is the InChIKey of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is ADKGIIBLLKNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-8(4-3-5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3.
What are the key properties of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 39238145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).