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

C15H14N2O — CID 721050

IUPAC2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2oc(-c3ccc(C)c(N)c3)nc2c1
InChIInChI=1S/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3
InChIKeyADAAURXAJSQCKI-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.69
Rot. Bonds1

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

2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 721050) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
PubChem CID721050
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2oc(-c3ccc(C)c(N)c3)nc2c1
InChIInChI=1S/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3
InChIKeyADAAURXAJSQCKI-UHFFFAOYSA-N
XLogP3.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline (CID 721050) is 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline is Cc1ccc2oc(-c3ccc(C)c(N)c3)nc2c1.
What is the InChIKey of 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is ADAAURXAJSQCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3.
What are the key properties of 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 238.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 721050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).