2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole

C13H12F3NO4 — CID 717830

IUPAC2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)c(OC)o2)cc1OC
InChIInChI=1S/C13H12F3NO4/c1-18-8-5-4-7(6-9(8)19-2)11-17-10(13(14,15)16)12(20-3)21-11/h4-6H,1-3H3
InChIKeyPWZPYUCCMMJXMV-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.39
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 717830) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
PubChem CID717830
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)c(OC)o2)cc1OC
InChIInChI=1S/C13H12F3NO4/c1-18-8-5-4-7(6-9(8)19-2)11-17-10(13(14,15)16)12(20-3)21-11/h4-6H,1-3H3
InChIKeyPWZPYUCCMMJXMV-UHFFFAOYSA-N
XLogP3.39
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-5-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole (CID 717830) is 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole is COc1ccc(-c2nc(C(F)(F)F)c(OC)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is PWZPYUCCMMJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c1-18-8-5-4-7(6-9(8)19-2)11-17-10(13(14,15)16)12(20-3)21-11/h4-6H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 303.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 717830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).