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

C13H12F3NO3 — CID 915058

IUPAC5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCCOc1oc(-c2ccc(OC)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H12F3NO3/c1-3-19-12-10(13(14,15)16)17-11(20-12)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyNJKGXLRSYSULLZ-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.77
Rot. Bonds4

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

5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 915058) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID915058
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCCOc1oc(-c2ccc(OC)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H12F3NO3/c1-3-19-12-10(13(14,15)16)17-11(20-12)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyNJKGXLRSYSULLZ-UHFFFAOYSA-N
XLogP3.77
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anticancer agent 73
CID 20064063
5-[4-[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid
CID 21866841
Ethyl 5-ethyl-2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 148087947
(E)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512022
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369031
5-Methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
CID 715549
2-(4-Chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
CID 718945
5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
CID 2763518
2-(2-(4-Methoxyphenyl)-1,3-oxazol-4-yl)ethan-1-amine
CID 18071419
4-(Chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole
CID 56658623
2-(3,4-Dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
CID 717830
5-Methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 822891

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole (CID 915058) is 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole is CCOc1oc(-c2ccc(OC)cc2)nc1C(F)(F)F.
What is the InChIKey of 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is NJKGXLRSYSULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-3-19-12-10(13(14,15)16)17-11(20-12)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole?
5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 287.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 915058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).