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

C22H12F4N2O3 — CID 67256374

IUPAC5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one
SMILESCC(=O)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1
InChIInChI=1S/C22H12F4N2O3/c1-11(29)22-27-19(14-7-6-13(23)9-17(14)26)21(31-22)12-5-8-18(30)28(10-12)20-15(24)3-2-4-16(20)25/h2-10H,1H3
InChIKeyLYWOLDORUMQRBW-UHFFFAOYSA-N
MW428.34 g/mol
LogP4.92
Rot. Bonds4

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

5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one (PubChem CID 67256374) has the molecular formula C22H12F4N2O3 and a molecular weight of 428.34 g/mol. Its IUPAC name is 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one
PubChem CID67256374
Molecular FormulaC22H12F4N2O3
Molecular Weight428.34 g/mol
Exact Mass428.08
IUPAC Name5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one
SMILESCC(=O)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1
InChIInChI=1S/C22H12F4N2O3/c1-11(29)22-27-19(14-7-6-13(23)9-17(14)26)21(31-22)12-5-8-18(30)28(10-12)20-15(24)3-2-4-16(20)25/h2-10H,1H3
InChIKeyLYWOLDORUMQRBW-UHFFFAOYSA-N
XLogP4.92
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one?
The IUPAC name of 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one (CID 67256374) is 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one?
The canonical SMILES for 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one is CC(=O)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1.
What is the InChIKey of 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one?
The InChIKey is LYWOLDORUMQRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F4N2O3/c1-11(29)22-27-19(14-7-6-13(23)9-17(14)26)21(31-22)12-5-8-18(30)28(10-12)20-15(24)3-2-4-16(20)25/h2-10H,1H3.
What are the key properties of 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one?
5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one has a molecular weight of 428.34 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one is sourced from PubChem (CID 67256374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).