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

C23H14F4N2O3 — CID 67256069

IUPAC1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one
SMILESCCC(=O)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1
InChIInChI=1S/C23H14F4N2O3/c1-2-18(30)23-28-20(14-8-7-13(24)10-17(14)27)22(32-23)12-6-9-19(31)29(11-12)21-15(25)4-3-5-16(21)26/h3-11H,2H2,1H3
InChIKeyTYOHMHXXRDINJX-UHFFFAOYSA-N
MW442.37 g/mol
LogP5.31
Rot. Bonds5

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

1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one (PubChem CID 67256069) has the molecular formula C23H14F4N2O3 and a molecular weight of 442.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one
PubChem CID67256069
Molecular FormulaC23H14F4N2O3
Molecular Weight442.37 g/mol
Exact Mass442.09
IUPAC Name1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one
SMILESCCC(=O)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1
InChIInChI=1S/C23H14F4N2O3/c1-2-18(30)23-28-20(14-8-7-13(24)10-17(14)27)22(32-23)12-6-9-19(31)29(11-12)21-15(25)4-3-5-16(21)26/h3-11H,2H2,1H3
InChIKeyTYOHMHXXRDINJX-UHFFFAOYSA-N
XLogP5.31
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one (CID 67256069) is 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one is CCC(=O)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one?
The InChIKey is TYOHMHXXRDINJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O3/c1-2-18(30)23-28-20(14-8-7-13(24)10-17(14)27)22(32-23)12-6-9-19(31)29(11-12)21-15(25)4-3-5-16(21)26/h3-11H,2H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one has a molecular weight of 442.37 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one is sourced from PubChem (CID 67256069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).