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

C18H14Cl2F3NO — CID 59370905

IUPAC5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C18H14Cl2F3NO/c1-10-3-4-12(5-11(10)2)16-9-17(25-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13/h3-8H,9H2,1-2H3
InChIKeyMEVJLNWDUIESDL-UHFFFAOYSA-N
MW388.22 g/mol
LogP6.19
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 59370905) has the molecular formula C18H14Cl2F3NO and a molecular weight of 388.22 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID59370905
Molecular FormulaC18H14Cl2F3NO
Molecular Weight388.22 g/mol
Exact Mass387.04
IUPAC Name5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C18H14Cl2F3NO/c1-10-3-4-12(5-11(10)2)16-9-17(25-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13/h3-8H,9H2,1-2H3
InChIKeyMEVJLNWDUIESDL-UHFFFAOYSA-N
XLogP6.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.22
LogP ≤ 56.19
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-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 59370905) is 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is MEVJLNWDUIESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3NO/c1-10-3-4-12(5-11(10)2)16-9-17(25-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13/h3-8H,9H2,1-2H3.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 388.22 g/mol, XLogP of 6.19, 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-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 59370905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).