5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole

C19H19NO — CID 69005370

IUPAC5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ocnc2-c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-19(2,3)16-11-9-15(10-12-16)18-17(20-13-21-18)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyRGHXBMDKKDQVOA-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.31
Rot. Bonds2

About 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole

5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole (PubChem CID 69005370) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole
PubChem CID69005370
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ocnc2-c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-19(2,3)16-11-9-15(10-12-16)18-17(20-13-21-18)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyRGHXBMDKKDQVOA-UHFFFAOYSA-N
XLogP5.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-5-phenyl-1,3-oxazole
CID 23542020
4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole
CID 58157922
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
4-phenyl-5-(3-phenyl-2-pyridinyl)-1,3-oxazole
CID 173145903
4-methylsulfanyl-5-phenyl-1,3-oxazole
CID 12724679
4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole
CID 156552916
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole
CID 23433767
4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole
CID 123194769
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 22354178
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
5-(5-phenyl-1,3-oxazol-4-yl)-3H-1,3,4-thiadiazole-2-thione
CID 18707640

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole (CID 69005370) is 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole is CC(C)(C)c1ccc(-c2ocnc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole?
The InChIKey is RGHXBMDKKDQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2,3)16-11-9-15(10-12-16)18-17(20-13-21-18)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole?
5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole has a molecular weight of 277.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole is sourced from PubChem (CID 69005370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).