2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline

C15H14N2O2 — CID 102696273

IUPAC2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
SMILESCOc1ccc2nc(Cc3ccccc3N)oc2c1
InChIInChI=1S/C15H14N2O2/c1-18-11-6-7-13-14(9-11)19-15(17-13)8-10-4-2-3-5-12(10)16/h2-7,9H,8,16H2,1H3
InChIKeyLZGDRFARRHMHLQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.01
Rot. Bonds3

About 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline

2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline (PubChem CID 102696273) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
PubChem CID102696273
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
SMILESCOc1ccc2nc(Cc3ccccc3N)oc2c1
InChIInChI=1S/C15H14N2O2/c1-18-11-6-7-13-14(9-11)19-15(17-13)8-10-4-2-3-5-12(10)16/h2-7,9H,8,16H2,1H3
InChIKeyLZGDRFARRHMHLQ-UHFFFAOYSA-N
XLogP3.01
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]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

(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107273857
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole
CID 53418546
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline?
The IUPAC name of 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline (CID 102696273) is 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline?
The canonical SMILES for 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline is COc1ccc2nc(Cc3ccccc3N)oc2c1.
What is the InChIKey of 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline?
The InChIKey is LZGDRFARRHMHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-11-6-7-13-14(9-11)19-15(17-13)8-10-4-2-3-5-12(10)16/h2-7,9H,8,16H2,1H3.
What are the key properties of 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline?
2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline has a molecular weight of 254.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline is sourced from PubChem (CID 102696273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).