5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole

C19H12Cl2F3N3O — CID 90721070

IUPAC5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)C=C(c2ccc(-n3ccnc3)cc2)NO1
InChIInChI=1S/C19H12Cl2F3N3O/c20-14-7-13(8-15(21)9-14)18(19(22,23)24)10-17(26-28-18)12-1-3-16(4-2-12)27-6-5-25-11-27/h1-11,26H
InChIKeyOUWPPWKHHRGSRA-UHFFFAOYSA-N
MW426.23 g/mol
LogP5.51
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole

5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (PubChem CID 90721070) has the molecular formula C19H12Cl2F3N3O and a molecular weight of 426.23 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
PubChem CID90721070
Molecular FormulaC19H12Cl2F3N3O
Molecular Weight426.23 g/mol
Exact Mass425.03
IUPAC Name5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)C=C(c2ccc(-n3ccnc3)cc2)NO1
InChIInChI=1S/C19H12Cl2F3N3O/c20-14-7-13(8-15(21)9-14)18(19(22,23)24)10-17(26-28-18)12-1-3-16(4-2-12)27-6-5-25-11-27/h1-11,26H
InChIKeyOUWPPWKHHRGSRA-UHFFFAOYSA-N
XLogP5.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.23
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-nitrophenol
CID 91414480
N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]acetamide
CID 123575198
5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90940837
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-hydroxy-N',2-dimethylbenzenecarboximidamide
CID 91422167
1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 123989197
1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]-3-methylbutan-1-one
CID 91453524
3-(5-bromo-4-methylthiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 123556138
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
2-chloroethyl N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]carbamate
CID 91474632
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 91379496
5-[3-bromo-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91262077

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (CID 90721070) is 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)C=C(c2ccc(-n3ccnc3)cc2)NO1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The InChIKey is OUWPPWKHHRGSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N3O/c20-14-7-13(8-15(21)9-14)18(19(22,23)24)10-17(26-28-18)12-1-3-16(4-2-12)27-6-5-25-11-27/h1-11,26H.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole has a molecular weight of 426.23 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is sourced from PubChem (CID 90721070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).