5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole

C11H8F3NO2 — CID 146168552

IUPAC5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C11H8F3NO2/c1-16-8-4-2-7(3-5-8)9-6-15-10(17-9)11(12,13)14/h2-6H,1H3
InChIKeySTKDHXJMWPHQOW-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.37
Rot. Bonds2

About 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole

5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 146168552) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID146168552
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C11H8F3NO2/c1-16-8-4-2-7(3-5-8)9-6-15-10(17-9)11(12,13)14/h2-6H,1H3
InChIKeySTKDHXJMWPHQOW-UHFFFAOYSA-N
XLogP3.37
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601
5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 91335838
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 12639615
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 928446
2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 102314201
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903673

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole (CID 146168552) is 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole is COc1ccc(-c2cnc(C(F)(F)F)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is STKDHXJMWPHQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-16-8-4-2-7(3-5-8)9-6-15-10(17-9)11(12,13)14/h2-6H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole?
5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 243.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 146168552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).