2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole

C22H16F3NO — CID 18520179

IUPAC2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1OC(c2c(F)cccc2F)=NC1c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H16F3NO/c1-13-21(26-22(27-13)20-18(24)7-4-8-19(20)25)15-11-9-14(10-12-15)16-5-2-3-6-17(16)23/h2-13,21H,1H3
InChIKeyZPCKQYNYLMXWTF-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.68
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 18520179) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID18520179
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1OC(c2c(F)cccc2F)=NC1c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H16F3NO/c1-13-21(26-22(27-13)20-18(24)7-4-8-19(20)25)15-11-9-14(10-12-15)16-5-2-3-6-17(16)23/h2-13,21H,1H3
InChIKeyZPCKQYNYLMXWTF-UHFFFAOYSA-N
XLogP5.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole (CID 18520179) is 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole is CC1OC(c2c(F)cccc2F)=NC1c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZPCKQYNYLMXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO/c1-13-21(26-22(27-13)20-18(24)7-4-8-19(20)25)15-11-9-14(10-12-15)16-5-2-3-6-17(16)23/h2-13,21H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 367.37 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18520179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).