1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one

C24H16F4N2O2 — CID 67255019

IUPAC1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one
SMILESCC(C)=Cc1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)o1
InChIInChI=1S/C24H16F4N2O2/c1-13(2)10-20-29-22(24(32-20)16-8-7-15(25)11-19(16)28)14-6-9-21(31)30(12-14)23-17(26)4-3-5-18(23)27/h3-12H,1-2H3
InChIKeyZOZWTXXQIYSYSJ-UHFFFAOYSA-N
MW440.40 g/mol
LogP6.14
Rot. Bonds4

About 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67255019) has the molecular formula C24H16F4N2O2 and a molecular weight of 440.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID67255019
Molecular FormulaC24H16F4N2O2
Molecular Weight440.40 g/mol
Exact Mass440.11
IUPAC Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one
SMILESCC(C)=Cc1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)o1
InChIInChI=1S/C24H16F4N2O2/c1-13(2)10-20-29-22(24(32-20)16-8-7-15(25)11-19(16)28)14-6-9-21(31)30(12-14)23-17(26)4-3-5-18(23)27/h3-12H,1-2H3
InChIKeyZOZWTXXQIYSYSJ-UHFFFAOYSA-N
XLogP6.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one (CID 67255019) is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one is CC(C)=Cc1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)o1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is ZOZWTXXQIYSYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O2/c1-13(2)10-20-29-22(24(32-20)16-8-7-15(25)11-19(16)28)14-6-9-21(31)30(12-14)23-17(26)4-3-5-18(23)27/h3-12H,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 440.40 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67255019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).