5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole

C19H21NO — CID 46089173

IUPAC5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1ccc(C)c(-c2nc3cc(C(C)(C)C)ccc3o2)c1
InChIInChI=1S/C19H21NO/c1-12-6-7-13(2)15(10-12)18-20-16-11-14(19(3,4)5)8-9-17(16)21-18/h6-11H,1-5H3
InChIKeyOMVBBIJPEODQEO-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.41
Rot. Bonds1

About 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole

5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole (PubChem CID 46089173) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole
PubChem CID46089173
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1ccc(C)c(-c2nc3cc(C(C)(C)C)ccc3o2)c1
InChIInChI=1S/C19H21NO/c1-12-6-7-13(2)15(10-12)18-20-16-11-14(19(3,4)5)8-9-17(16)21-18/h6-11H,1-5H3
InChIKeyOMVBBIJPEODQEO-UHFFFAOYSA-N
XLogP5.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-5-methyl-1,3-benzoxazole
CID 129038043
5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 18381170
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
CID 46089030
5-tert-butyl-2-(2,5-difluorophenyl)-1,3-benzoxazole
CID 46089031
4-bromo-2-(5-tert-butyl-1,3-benzoxazol-2-yl)aniline
CID 63539691
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
5-tert-butyl-2-(3,5-difluorophenyl)-1,3-benzoxazole
CID 46089033
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(6-bromo-1,3-benzodioxol-5-yl)-5-tert-butyl-1,3-benzoxazole
CID 46089076
4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 58985881

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole (CID 46089173) is 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole is Cc1ccc(C)c(-c2nc3cc(C(C)(C)C)ccc3o2)c1.
What is the InChIKey of 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole?
The InChIKey is OMVBBIJPEODQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-12-6-7-13(2)15(10-12)18-20-16-11-14(19(3,4)5)8-9-17(16)21-18/h6-11H,1-5H3.
What are the key properties of 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole?
5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole has a molecular weight of 279.38 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 46089173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).