3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole

C20H13F4N3O — CID 23725803

IUPAC3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1-c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H13F4N3O/c1-12-18(19(26-28-12)13-5-7-15(21)8-6-13)17-10-27(11-25-17)16-4-2-3-14(9-16)20(22,23)24/h2-11H,1H3
InChIKeyQKWXCEBKIAWJHS-UHFFFAOYSA-N
MW387.34 g/mol
LogP5.66
Rot. Bonds3

About 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole

3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole (PubChem CID 23725803) has the molecular formula C20H13F4N3O and a molecular weight of 387.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
PubChem CID23725803
Molecular FormulaC20H13F4N3O
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1-c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H13F4N3O/c1-12-18(19(26-28-12)13-5-7-15(21)8-6-13)17-10-27(11-25-17)16-4-2-3-14(9-16)20(22,23)24/h2-11H,1H3
InChIKeyQKWXCEBKIAWJHS-UHFFFAOYSA-N
XLogP5.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.34
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole (CID 23725803) is 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1-c1cn(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The InChIKey is QKWXCEBKIAWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O/c1-12-18(19(26-28-12)13-5-7-15(21)8-6-13)17-10-27(11-25-17)16-4-2-3-14(9-16)20(22,23)24/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole has a molecular weight of 387.34 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 23725803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).