4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole

C24H27NO — CID 143167844

IUPAC4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(-c2ccc(C(C)(C)C)c(C)c2C)c(-c2ccccc2)o1
InChIInChI=1S/C24H27NO/c1-7-11-21-25-22(23(26-21)18-12-9-8-10-13-18)19-14-15-20(24(4,5)6)17(3)16(19)2/h7-10,12-15H,1,11H2,2-6H3
InChIKeyYMEIYLLBTOACSH-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.65
Rot. Bonds4

About 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole

4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole (PubChem CID 143167844) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole
PubChem CID143167844
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(-c2ccc(C(C)(C)C)c(C)c2C)c(-c2ccccc2)o1
InChIInChI=1S/C24H27NO/c1-7-11-21-25-22(23(26-21)18-12-9-8-10-13-18)19-14-15-20(24(4,5)6)17(3)16(19)2/h7-10,12-15H,1,11H2,2-6H3
InChIKeyYMEIYLLBTOACSH-UHFFFAOYSA-N
XLogP6.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole
CID 89433525
2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
CID 10869047
6-tert-butyl-3-methyl-4-phenyl-5-prop-2-enylpyran-2-one
CID 102405994
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
2-(isocyanomethyl)-4,5-diphenyl-1,3-oxazole
CID 15237344
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate
CID 91284514
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
methyl 2-[5-phenyl-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 67623640
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
5-phenyl-4-prop-2-enyl-1,2-oxazole
CID 174302799
4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
CID 18701525

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole?
The IUPAC name of 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole (CID 143167844) is 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole.
What is the SMILES notation for 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole?
The canonical SMILES for 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole is C=CCc1nc(-c2ccc(C(C)(C)C)c(C)c2C)c(-c2ccccc2)o1.
What is the InChIKey of 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole?
The InChIKey is YMEIYLLBTOACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-7-11-21-25-22(23(26-21)18-12-9-8-10-13-18)19-14-15-20(24(4,5)6)17(3)16(19)2/h7-10,12-15H,1,11H2,2-6H3.
What are the key properties of 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole?
4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole has a molecular weight of 345.49 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,3-dimethylphenyl)-5-phenyl-2-prop-2-enyl-1,3-oxazole is sourced from PubChem (CID 143167844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).