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

C15H14N2O2 — CID 115411925

IUPAC5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)c(N)c1
InChIInChI=1S/C15H14N2O2/c1-9-3-6-14-13(7-9)17-15(19-14)11-5-4-10(18-2)8-12(11)16/h3-8H,16H2,1-2H3
InChIKeyGWZSKXQQTQDEAG-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.39
Rot. Bonds2

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

5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 115411925) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
PubChem CID115411925
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)c(N)c1
InChIInChI=1S/C15H14N2O2/c1-9-3-6-14-13(7-9)17-15(19-14)11-5-4-10(18-2)8-12(11)16/h3-8H,16H2,1-2H3
InChIKeyGWZSKXQQTQDEAG-UHFFFAOYSA-N
XLogP3.39
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(5-methyl-1,3-benzoxazol-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

5-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696750
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
4-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102697020
4-iodo-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696756
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780
2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
CID 69363330
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline (CID 115411925) is 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline is COc1ccc(-c2nc3cc(C)ccc3o2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is GWZSKXQQTQDEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-3-6-14-13(7-9)17-15(19-14)11-5-4-10(18-2)8-12(11)16/h3-8H,16H2,1-2H3.
What are the key properties of 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline?
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 115411925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).