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

C16H15F2NO2S — CID 20748329

IUPAC5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2F)CC(c2cccs2)=NO1
InChIInChI=1S/C16H15F2NO2S/c1-16(8-14(19-21-16)15-6-3-7-22-15)10-20-9-11-12(17)4-2-5-13(11)18/h2-7H,8-10H2,1H3
InChIKeyUVZKPXRPEZICBA-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.13
Rot. Bonds5

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

5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole (PubChem CID 20748329) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole
PubChem CID20748329
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2F)CC(c2cccs2)=NO1
InChIInChI=1S/C16H15F2NO2S/c1-16(8-14(19-21-16)15-6-3-7-22-15)10-20-9-11-12(17)4-2-5-13(11)18/h2-7H,8-10H2,1H3
InChIKeyUVZKPXRPEZICBA-UHFFFAOYSA-N
XLogP4.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole?
The IUPAC name of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole (CID 20748329) is 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole?
The canonical SMILES for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole is CC1(COCc2c(F)cccc2F)CC(c2cccs2)=NO1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole?
The InChIKey is UVZKPXRPEZICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-16(8-14(19-21-16)15-6-3-7-22-15)10-20-9-11-12(17)4-2-5-13(11)18/h2-7H,8-10H2,1H3.
What are the key properties of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole?
5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole has a molecular weight of 323.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole is sourced from PubChem (CID 20748329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).