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

C18H15F4NO — CID 90940837

IUPAC5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(F)cc3)NO2)c1
InChIInChI=1S/C18H15F4NO/c1-11-7-12(2)9-14(8-11)17(18(20,21)22)10-16(23-24-17)13-3-5-15(19)6-4-13/h3-10,23H,1-2H3
InChIKeyNYEFLQVPDDZWBL-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.78
Rot. Bonds2

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

5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (PubChem CID 90940837) has the molecular formula C18H15F4NO and a molecular weight of 337.32 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
PubChem CID90940837
Molecular FormulaC18H15F4NO
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Name5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(F)cc3)NO2)c1
InChIInChI=1S/C18H15F4NO/c1-11-7-12(2)9-14(8-11)17(18(20,21)22)10-16(23-24-17)13-3-5-15(19)6-4-13/h3-10,23H,1-2H3
InChIKeyNYEFLQVPDDZWBL-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The IUPAC name of 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (CID 90940837) is 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is Cc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(F)cc3)NO2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The InChIKey is NYEFLQVPDDZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO/c1-11-7-12(2)9-14(8-11)17(18(20,21)22)10-16(23-24-17)13-3-5-15(19)6-4-13/h3-10,23H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole has a molecular weight of 337.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is sourced from PubChem (CID 90940837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).