6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole

C15H13NO2 — CID 135041335

IUPAC6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
SMILESCOc1ccc2nc(-c3cccc(C)c3)oc2c1
InChIInChI=1S/C15H13NO2/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
InChIKeyRGZQWPDIMXQNBJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.81
Rot. Bonds2

About 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole

6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole (PubChem CID 135041335) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
PubChem CID135041335
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
SMILESCOc1ccc2nc(-c3cccc(C)c3)oc2c1
InChIInChI=1S/C15H13NO2/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
InChIKeyRGZQWPDIMXQNBJ-UHFFFAOYSA-N
XLogP3.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168654349
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168652805
2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
CID 141185714
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 24780658
5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
CID 59203844
(2R)-2-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid
CID 125495241
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
1-(diaminomethylidene)-2-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]guanidine
CID 168604323
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole (CID 135041335) is 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole is COc1ccc2nc(-c3cccc(C)c3)oc2c1.
What is the InChIKey of 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole?
The InChIKey is RGZQWPDIMXQNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3.
What are the key properties of 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole?
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole has a molecular weight of 239.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 135041335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).