2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole

C17H17NO — CID 95910920

IUPAC2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3ccc(C)c(C)c3o2)c1
InChIInChI=1S/C17H17NO/c1-10-7-11(2)9-14(8-10)17-18-15-6-5-12(3)13(4)16(15)19-17/h5-9H,1-4H3
InChIKeyDZRIXVBUTCWPSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.73
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole

2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole (PubChem CID 95910920) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole
PubChem CID95910920
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3ccc(C)c(C)c3o2)c1
InChIInChI=1S/C17H17NO/c1-10-7-11(2)9-14(8-10)17-18-15-6-5-12(3)13(4)16(15)19-17/h5-9H,1-4H3
InChIKeyDZRIXVBUTCWPSV-UHFFFAOYSA-N
XLogP4.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
CID 95910925
2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95911050
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
5,7-dibromo-2-(3,5-dimethylphenyl)-1,3-benzoxazol-6-amine
CID 95911077
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
CID 95909923
5,7-dimethyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole
CID 100817845
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 51983755

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole (CID 95910920) is 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole is Cc1cc(C)cc(-c2nc3ccc(C)c(C)c3o2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole?
The InChIKey is DZRIXVBUTCWPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-10-7-11(2)9-14(8-10)17-18-15-6-5-12(3)13(4)16(15)19-17/h5-9H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole?
2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole has a molecular weight of 251.33 g/mol, XLogP of 4.73, 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)-6,7-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 95910920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).