5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole

C19H16F5NO2 — CID 89491855

IUPAC5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2F)CC(c2ccccc2C(F)(F)F)=NO1
InChIInChI=1S/C19H16F5NO2/c1-18(11-26-10-13-15(20)7-4-8-16(13)21)9-17(25-27-18)12-5-2-3-6-14(12)19(22,23)24/h2-8H,9-11H2,1H3
InChIKeyBOUPZEDHVSVMGM-UHFFFAOYSA-N
MW385.33 g/mol
LogP5.08
Rot. Bonds5

About 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole

5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole (PubChem CID 89491855) has the molecular formula C19H16F5NO2 and a molecular weight of 385.33 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole
PubChem CID89491855
Molecular FormulaC19H16F5NO2
Molecular Weight385.33 g/mol
Exact Mass385.11
IUPAC Name5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2F)CC(c2ccccc2C(F)(F)F)=NO1
InChIInChI=1S/C19H16F5NO2/c1-18(11-26-10-13-15(20)7-4-8-16(13)21)9-17(25-27-18)12-5-2-3-6-14(12)19(22,23)24/h2-8H,9-11H2,1H3
InChIKeyBOUPZEDHVSVMGM-UHFFFAOYSA-N
XLogP5.08
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.33
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The IUPAC name of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole (CID 89491855) is 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The canonical SMILES for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole is CC1(COCc2c(F)cccc2F)CC(c2ccccc2C(F)(F)F)=NO1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The InChIKey is BOUPZEDHVSVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5NO2/c1-18(11-26-10-13-15(20)7-4-8-16(13)21)9-17(25-27-18)12-5-2-3-6-14(12)19(22,23)24/h2-8H,9-11H2,1H3.
What are the key properties of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole has a molecular weight of 385.33 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-[2-(trifluoromethyl)phenyl]-4H-1,2-oxazole is sourced from PubChem (CID 89491855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).