2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline

C11H12N2O — CID 83876961

IUPAC2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccccc2N)c(C)o1
InChIInChI=1S/C11H12N2O/c1-7-11(13-8(2)14-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3
InChIKeyASTLNYHYFVSWLZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.54
Rot. Bonds1

About 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline

2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline (PubChem CID 83876961) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline
PubChem CID83876961
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccccc2N)c(C)o1
InChIInChI=1S/C11H12N2O/c1-7-11(13-8(2)14-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3
InChIKeyASTLNYHYFVSWLZ-UHFFFAOYSA-N
XLogP2.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethyl-1,3-oxazol-4-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

Related Compounds

2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
CID 45157007
2-(2-methyl-1,3-oxazol-4-yl)aniline
CID 22493369
2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde
CID 105454155
2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol
CID 115030601
2-[3-(2-aminophenyl)-2-trimethylsilylphenyl]aniline
CID 154709030
2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
CID 105473203
5-methyl-4-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453412
2-(4-ethyl-3-methylquinolin-2-yl)aniline
CID 134843455
5-(2-aminophenyl)-2-methylaniline
CID 68793709
2-(5-methylthiophen-2-yl)aniline
CID 13413493
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
2-(2-methylquinolin-3-yl)aniline
CID 164679220

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline (CID 83876961) is 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccccc2N)c(C)o1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline?
The InChIKey is ASTLNYHYFVSWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-11(13-8(2)14-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline?
2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 83876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).