4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

C16H14F3N3O2 — CID 56679276

IUPAC4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESCc1cn(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)c(C)n1
InChIInChI=1S/C16H14F3N3O2/c1-10-7-22(11(2)20-10)8-13-9-23-15(21-13)12-3-5-14(6-4-12)24-16(17,18)19/h3-7,9H,8H2,1-2H3
InChIKeyUTENGLXYFSOCFR-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.10
Rot. Bonds4

About 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 56679276) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
PubChem CID56679276
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESCc1cn(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)c(C)n1
InChIInChI=1S/C16H14F3N3O2/c1-10-7-22(11(2)20-10)8-13-9-23-15(21-13)12-3-5-14(6-4-12)24-16(17,18)19/h3-7,9H,8H2,1-2H3
InChIKeyUTENGLXYFSOCFR-UHFFFAOYSA-N
XLogP4.10
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The IUPAC name of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (CID 56679276) is 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is Cc1cn(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)c(C)n1.
What is the InChIKey of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The InChIKey is UTENGLXYFSOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-10-7-22(11(2)20-10)8-13-9-23-15(21-13)12-3-5-14(6-4-12)24-16(17,18)19/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 337.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 56679276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).