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

C11H12N2O2 — CID 82469943

IUPAC3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1ncc(C)o1
InChIInChI=1S/C11H12N2O2/c1-7-6-13-11(15-7)9-4-3-8(12)5-10(9)14-2/h3-6H,12H2,1-2H3
InChIKeyBRRAHCVTEJXISS-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.24
Rot. Bonds2

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

3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline (PubChem CID 82469943) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
PubChem CID82469943
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1ncc(C)o1
InChIInChI=1S/C11H12N2O2/c1-7-6-13-11(15-7)9-4-3-8(12)5-10(9)14-2/h3-6H,12H2,1-2H3
InChIKeyBRRAHCVTEJXISS-UHFFFAOYSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(5-methyl-1,3-oxazol-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

Related Compounds

2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 96669531
2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
CID 141095214
2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
CID 96611710
4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
CID 107209324
3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
CID 141243307
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209241
3-methoxy-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209176
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
CID 61318608
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209217

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline (CID 82469943) is 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline is COc1cc(N)ccc1-c1ncc(C)o1.
What is the InChIKey of 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline?
The InChIKey is BRRAHCVTEJXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-6-13-11(15-7)9-4-3-8(12)5-10(9)14-2/h3-6H,12H2,1-2H3.
What are the key properties of 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline?
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline has a molecular weight of 204.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 82469943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).