2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline

C15H14N2O — CID 721052

IUPAC2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2nc(-c3ccc(C)c(N)c3)oc2c1
InChIInChI=1S/C15H14N2O/c1-9-3-6-13-14(7-9)18-15(17-13)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3
InChIKeyRGNOSZJCKGNNKE-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.69
Rot. Bonds1

About 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline

2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 721052) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline
PubChem CID721052
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2nc(-c3ccc(C)c(N)c3)oc2c1
InChIInChI=1S/C15H14N2O/c1-9-3-6-13-14(7-9)18-15(17-13)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3
InChIKeyRGNOSZJCKGNNKE-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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Related Compounds

Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
L 697639
CID 60832
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
5-Nitro-2-phenyl-1,3-benzoxazole
CID 759401
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
Benzoxazole, 2-(4-nitrophenyl)-
CID 70047

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline (CID 721052) is 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline is Cc1ccc2nc(-c3ccc(C)c(N)c3)oc2c1.
What is the InChIKey of 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is RGNOSZJCKGNNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-3-6-13-14(7-9)18-15(17-13)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3.
What are the key properties of 2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)aniline?
2-methyl-5-(6-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-(6-methyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 721052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).