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

C20H22N2O — CID 10380451

IUPAC5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cnc(-c2ccncc2)o1
InChIInChI=1S/C20H22N2O/c1-13-10-16(20(3,4)5)11-14(2)18(13)17-12-22-19(23-17)15-6-8-21-9-7-15/h6-12H,1-5H3
InChIKeyZAMZMYUJLSIZRE-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.32
Rot. Bonds2

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

5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole (PubChem CID 10380451) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole
PubChem CID10380451
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cnc(-c2ccncc2)o1
InChIInChI=1S/C20H22N2O/c1-13-10-16(20(3,4)5)11-14(2)18(13)17-12-22-19(23-17)15-6-8-21-9-7-15/h6-12H,1-5H3
InChIKeyZAMZMYUJLSIZRE-UHFFFAOYSA-N
XLogP5.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole
CID 140714662
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
CID 101479492
5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 11779218
4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine
CID 169050144
5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 82479129
2-(2-methylpyrimidin-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 99962892
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
methyl 4-[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]benzoate
CID 164863176
5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 5027296

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole (CID 10380451) is 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole is Cc1cc(C(C)(C)C)cc(C)c1-c1cnc(-c2ccncc2)o1.
What is the InChIKey of 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole?
The InChIKey is ZAMZMYUJLSIZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-10-16(20(3,4)5)11-14(2)18(13)17-12-22-19(23-17)15-6-8-21-9-7-15/h6-12H,1-5H3.
What are the key properties of 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole?
5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole has a molecular weight of 306.41 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 10380451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).