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

C13H15NO — CID 3282519

IUPAC5-(4-tert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12/h4-9H,1-3H3
InChIKeyPGUULGWKJLACSP-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.64
Rot. Bonds1

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

5-(4-tert-butylphenyl)-1,3-oxazole (PubChem CID 3282519) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1,3-oxazole
PubChem CID3282519
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-(4-tert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12/h4-9H,1-3H3
InChIKeyPGUULGWKJLACSP-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Diphenyloxazole
CID 7105
5-(4-Bromophenyl)-1,3-oxazole
CID 2776418
5-Phenyl oxazole
CID 589311
3-(1,3-Oxazol-5-yl)aniline
CID 2739289
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
5-(Naphthalen-2-yl)-1,3-oxazole
CID 11275595
(1r,2r,3r)-2-[4-(1,3-Oxazol-5-Yl)phenyl]-N-Oxidanyl-3-Phenyl-Cyclopropane-1-Carboxamide
CID 60148693
2-Cyclohexyl-5-phenyloxazole
CID 87832
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
5-(3-Bromophenyl)-1,3-oxazole
CID 2795565
5-(4-Methoxyphenyl)-1,3-oxazole
CID 3270828
4-(5-Oxazolyl)benzylamine
CID 21930993

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-tert-butylphenyl)-1,3-oxazole (CID 3282519) is 5-(4-tert-butylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1,3-oxazole is CC(C)(C)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1,3-oxazole?
The InChIKey is PGUULGWKJLACSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12/h4-9H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-1,3-oxazole?
5-(4-tert-butylphenyl)-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1,3-oxazole is sourced from PubChem (CID 3282519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).