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

C16H9Cl2F4NO — CID 71612700

IUPAC5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H9Cl2F4NO/c17-11-5-10(6-12(18)7-11)15(16(20,21)22)8-14(23-24-15)9-1-3-13(19)4-2-9/h1-7H,8H2
InChIKeyDBTPXJVYFJFEDQ-UHFFFAOYSA-N
MW378.15 g/mol
LogP5.71
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 71612700) has the molecular formula C16H9Cl2F4NO and a molecular weight of 378.15 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID71612700
Molecular FormulaC16H9Cl2F4NO
Molecular Weight378.15 g/mol
Exact Mass377.00
IUPAC Name5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H9Cl2F4NO/c17-11-5-10(6-12(18)7-11)15(16(20,21)22)8-14(23-24-15)9-1-3-13(19)4-2-9/h1-7H,8H2
InChIKeyDBTPXJVYFJFEDQ-UHFFFAOYSA-N
XLogP5.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.15
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 71612700) is 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is Fc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is DBTPXJVYFJFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F4NO/c17-11-5-10(6-12(18)7-11)15(16(20,21)22)8-14(23-24-15)9-1-3-13(19)4-2-9/h1-7H,8H2.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 378.15 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 71612700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).