5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole

C16H21NO — CID 116868950

IUPAC5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2c(C)cc(C(C)(C)C)cc2C)on1
InChIInChI=1S/C16H21NO/c1-10-7-13(16(4,5)6)8-11(2)15(10)14-9-12(3)17-18-14/h7-9H,1-6H3
InChIKeyZLAAAKAQLMUWDB-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.56
Rot. Bonds1

About 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole

5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole (PubChem CID 116868950) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
PubChem CID116868950
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2c(C)cc(C(C)(C)C)cc2C)on1
InChIInChI=1S/C16H21NO/c1-10-7-13(16(4,5)6)8-11(2)15(10)14-9-12(3)17-18-14/h7-9H,1-6H3
InChIKeyZLAAAKAQLMUWDB-UHFFFAOYSA-N
XLogP4.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
CID 116869004
5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
5-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868891
5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 82479129
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol
CID 116889795
4-tert-butyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114372944
2,3-bis(4-tert-butyl-2,6-dimethylphenyl)cycloprop-2-en-1-one
CID 164518953
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
O-ethyl 2,4-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)benzenecarbothioate
CID 22628432
5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
CID 58550032

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole (CID 116868950) is 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole is Cc1cc(-c2c(C)cc(C(C)(C)C)cc2C)on1.
What is the InChIKey of 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is ZLAAAKAQLMUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-7-13(16(4,5)6)8-11(2)15(10)14-9-12(3)17-18-14/h7-9H,1-6H3.
What are the key properties of 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole?
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 243.35 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 116868950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).