2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole

C16H15NO — CID 46089200

IUPAC2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C16H15NO/c1-10-4-5-15-14(9-10)17-16(18-15)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3
InChIKeyQWXSDUPOLHCUEM-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.42
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole

2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole (PubChem CID 46089200) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
PubChem CID46089200
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C16H15NO/c1-10-4-5-15-14(9-10)17-16(18-15)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3
InChIKeyQWXSDUPOLHCUEM-UHFFFAOYSA-N
XLogP4.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 102448915
4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
CID 175214662
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole (CID 46089200) is 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole is Cc1cc(C)cc(-c2nc3cc(C)ccc3o2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is QWXSDUPOLHCUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-10-4-5-15-14(9-10)17-16(18-15)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole?
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 237.30 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 46089200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).