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

C17H12Cl2F3NO — CID 90737890

IUPAC5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCc1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C17H12Cl2F3NO/c1-10-2-4-11(5-3-10)15-9-16(24-23-15,17(20,21)22)12-6-13(18)8-14(19)7-12/h2-9,23H,1H3
InChIKeyPUJLLPRXCYJJAH-UHFFFAOYSA-N
MW374.19 g/mol
LogP5.64
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (PubChem CID 90737890) has the molecular formula C17H12Cl2F3NO and a molecular weight of 374.19 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
PubChem CID90737890
Molecular FormulaC17H12Cl2F3NO
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCc1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C17H12Cl2F3NO/c1-10-2-4-11(5-3-10)15-9-16(24-23-15,17(20,21)22)12-6-13(18)8-14(19)7-12/h2-9,23H,1H3
InChIKeyPUJLLPRXCYJJAH-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.19
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (CID 90737890) is 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is Cc1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The InChIKey is PUJLLPRXCYJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3NO/c1-10-2-4-11(5-3-10)15-9-16(24-23-15,17(20,21)22)12-6-13(18)8-14(19)7-12/h2-9,23H,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole has a molecular weight of 374.19 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is sourced from PubChem (CID 90737890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).