4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

C14H11F6NO2 — CID 170147212

IUPAC4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCOCc1nc(-c2cccc(C(F)(F)F)c2)oc1CC(F)(F)F
InChIInChI=1S/C14H11F6NO2/c1-22-7-10-11(6-13(15,16)17)23-12(21-10)8-3-2-4-9(5-8)14(18,19)20/h2-5H,6-7H2,1H3
InChIKeyMERPLVUJCACQMZ-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.61
Rot. Bonds4

About 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 170147212) has the molecular formula C14H11F6NO2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID170147212
Molecular FormulaC14H11F6NO2
Molecular Weight339.24 g/mol
Exact Mass339.07
IUPAC Name4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCOCc1nc(-c2cccc(C(F)(F)F)c2)oc1CC(F)(F)F
InChIInChI=1S/C14H11F6NO2/c1-22-7-10-11(6-13(15,16)17)23-12(21-10)8-3-2-4-9(5-8)14(18,19)20/h2-5H,6-7H2,1H3
InChIKeyMERPLVUJCACQMZ-UHFFFAOYSA-N
XLogP4.61
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 170147212) is 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is COCc1nc(-c2cccc(C(F)(F)F)c2)oc1CC(F)(F)F.
What is the InChIKey of 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is MERPLVUJCACQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO2/c1-22-7-10-11(6-13(15,16)17)23-12(21-10)8-3-2-4-9(5-8)14(18,19)20/h2-5H,6-7H2,1H3.
What are the key properties of 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 339.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 170147212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).