2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine

C15H14N2O — CID 664476

IUPAC2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1
InChIInChI=1S/C15H14N2O/c1-9-3-5-12(10(2)7-9)15-17-13-8-11(16)4-6-14(13)18-15/h3-8H,16H2,1-2H3
InChIKeyMKOCJCMJGZYXSV-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.69
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine

2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 664476) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine
PubChem CID664476
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1
InChIInChI=1S/C15H14N2O/c1-9-3-5-12(10(2)7-9)15-17-13-8-11(16)4-6-14(13)18-15/h3-8H,16H2,1-2H3
InChIKeyMKOCJCMJGZYXSV-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-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine (CID 664476) is 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine is Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is MKOCJCMJGZYXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-3-5-12(10(2)7-9)15-17-13-8-11(16)4-6-14(13)18-15/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine?
2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine 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-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 664476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).