5-methyl-2-phenyl-1,3-benzoxazol-6-amine

C14H12N2O — CID 155036238

IUPAC5-methyl-2-phenyl-1,3-benzoxazol-6-amine
SMILESCc1cc2nc(-c3ccccc3)oc2cc1N
InChIInChI=1S/C14H12N2O/c1-9-7-12-13(8-11(9)15)17-14(16-12)10-5-3-2-4-6-10/h2-8H,15H2,1H3
InChIKeyNGKMJJBMDIYLEK-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.39
Rot. Bonds1

About 5-methyl-2-phenyl-1,3-benzoxazol-6-amine

5-methyl-2-phenyl-1,3-benzoxazol-6-amine (PubChem CID 155036238) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,3-benzoxazol-6-amine
PubChem CID155036238
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-methyl-2-phenyl-1,3-benzoxazol-6-amine
SMILESCc1cc2nc(-c3ccccc3)oc2cc1N
InChIInChI=1S/C14H12N2O/c1-9-7-12-13(8-11(9)15)17-14(16-12)10-5-3-2-4-6-10/h2-8H,15H2,1H3
InChIKeyNGKMJJBMDIYLEK-UHFFFAOYSA-N
XLogP3.39
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.39
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

2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 10266812
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
CID 140904312
2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
CID 163607211
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f][1,3]benzoxazole
CID 126655849
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 102706038

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1,3-benzoxazol-6-amine?
The IUPAC name of 5-methyl-2-phenyl-1,3-benzoxazol-6-amine (CID 155036238) is 5-methyl-2-phenyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-methyl-2-phenyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-methyl-2-phenyl-1,3-benzoxazol-6-amine is Cc1cc2nc(-c3ccccc3)oc2cc1N.
What is the InChIKey of 5-methyl-2-phenyl-1,3-benzoxazol-6-amine?
The InChIKey is NGKMJJBMDIYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-7-12-13(8-11(9)15)17-14(16-12)10-5-3-2-4-6-10/h2-8H,15H2,1H3.
What are the key properties of 5-methyl-2-phenyl-1,3-benzoxazol-6-amine?
5-methyl-2-phenyl-1,3-benzoxazol-6-amine has a molecular weight of 224.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 155036238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).