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

C18H16ClF2NO2 — CID 90329304

IUPAC3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2F)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H16ClF2NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3
InChIKeyZGIUCLYYDNHVJF-UHFFFAOYSA-N
MW351.78 g/mol
LogP4.72
Rot. Bonds5

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

3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole (PubChem CID 90329304) has the molecular formula C18H16ClF2NO2 and a molecular weight of 351.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole
PubChem CID90329304
Molecular FormulaC18H16ClF2NO2
Molecular Weight351.78 g/mol
Exact Mass351.08
IUPAC Name3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2F)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H16ClF2NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3
InChIKeyZGIUCLYYDNHVJF-UHFFFAOYSA-N
XLogP4.72
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole (CID 90329304) is 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole is CC1(COCc2c(F)cccc2F)CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole?
The InChIKey is ZGIUCLYYDNHVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole?
3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole has a molecular weight of 351.78 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 90329304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).