2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol

C15H13NO2 — CID 12886751

IUPAC2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
SMILESCc1ccc(-c2cc3oc(C)nc3cc2O)cc1
InChIInChI=1S/C15H13NO2/c1-9-3-5-11(6-4-9)12-7-15-13(8-14(12)17)16-10(2)18-15/h3-8,17H,1-2H3
InChIKeyQJKOHWXSUHQALK-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.82
Rot. Bonds1

About 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol

2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol (PubChem CID 12886751) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
PubChem CID12886751
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
SMILESCc1ccc(-c2cc3oc(C)nc3cc2O)cc1
InChIInChI=1S/C15H13NO2/c1-9-3-5-11(6-4-9)12-7-15-13(8-14(12)17)16-10(2)18-15/h3-8,17H,1-2H3
InChIKeyQJKOHWXSUHQALK-UHFFFAOYSA-N
XLogP3.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
CID 58946383
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole
CID 131849037
4-amino-2-(4-methylphenyl)phenol
CID 22256169
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 123220813
[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
CID 116828786
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol (CID 12886751) is 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol is Cc1ccc(-c2cc3oc(C)nc3cc2O)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is QJKOHWXSUHQALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-3-5-11(6-4-9)12-7-15-13(8-14(12)17)16-10(2)18-15/h3-8,17H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol?
2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 239.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 12886751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).