6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole

C18H19NO — CID 95910925

IUPAC6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1C
InChIInChI=1S/C18H19NO/c1-11(2)14-6-8-15(9-7-14)18-19-16-10-5-12(3)13(4)17(16)20-18/h5-11H,1-4H3
InChIKeyCXOVDSQHDGJFAX-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.24
Rot. Bonds2

About 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole

6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole (PubChem CID 95910925) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
PubChem CID95910925
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1C
InChIInChI=1S/C18H19NO/c1-11(2)14-6-8-15(9-7-14)18-19-16-10-5-12(3)13(4)17(16)20-18/h5-11H,1-4H3
InChIKeyCXOVDSQHDGJFAX-UHFFFAOYSA-N
XLogP5.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95910920
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011
4,6-dibromo-7-methyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-amine
CID 95910801
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95911050
4-ethyl-5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazole
CID 142936111
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
2-(4-bromo-3-methylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 91674215
2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
CID 166119017
7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690923
5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512133
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole (CID 95910925) is 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole is Cc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1C.
What is the InChIKey of 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole?
The InChIKey is CXOVDSQHDGJFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11(2)14-6-8-15(9-7-14)18-19-16-10-5-12(3)13(4)17(16)20-18/h5-11H,1-4H3.
What are the key properties of 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole?
6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole has a molecular weight of 265.36 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 95910925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).