5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole

C17H10Cl2F3NO2 — CID 1484778

IUPAC5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(OCc2cc(-c3ccc(Cl)c(Cl)c3)on2)c1
InChIInChI=1S/C17H10Cl2F3NO2/c18-14-5-4-10(6-15(14)19)16-8-12(23-25-16)9-24-13-3-1-2-11(7-13)17(20,21)22/h1-8H,9H2
InChIKeyMXAXLXRGLTXFJQ-UHFFFAOYSA-N
MW388.17 g/mol
LogP6.25
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole

5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole (PubChem CID 1484778) has the molecular formula C17H10Cl2F3NO2 and a molecular weight of 388.17 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
PubChem CID1484778
Molecular FormulaC17H10Cl2F3NO2
Molecular Weight388.17 g/mol
Exact Mass387.00
IUPAC Name5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(OCc2cc(-c3ccc(Cl)c(Cl)c3)on2)c1
InChIInChI=1S/C17H10Cl2F3NO2/c18-14-5-4-10(6-15(14)19)16-8-12(23-25-16)9-24-13-3-1-2-11(7-13)17(20,21)22/h1-8H,9H2
InChIKeyMXAXLXRGLTXFJQ-UHFFFAOYSA-N
XLogP6.25
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.17
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-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

3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
3-(2-bromoethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole
CID 175265096
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
2-(4-methylsulfonylphenyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 166189607
[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
CID 146438032
3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82089694
N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 97082942
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole (CID 1484778) is 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole is FC(F)(F)c1cccc(OCc2cc(-c3ccc(Cl)c(Cl)c3)on2)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The InChIKey is MXAXLXRGLTXFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NO2/c18-14-5-4-10(6-15(14)19)16-8-12(23-25-16)9-24-13-3-1-2-11(7-13)17(20,21)22/h1-8H,9H2.
What are the key properties of 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole has a molecular weight of 388.17 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 1484778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).