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

C23H14F4N2O2 — CID 67254934

IUPAC1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESC=C(C)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)o1
InChIInChI=1S/C23H14F4N2O2/c1-12(2)23-28-20(22(31-23)15-8-7-14(24)10-18(15)27)13-6-9-19(30)29(11-13)21-16(25)4-3-5-17(21)26/h3-11H,1H2,2H3
InChIKeyPALGWZFJXOOPHS-UHFFFAOYSA-N
MW426.37 g/mol
LogP5.75
Rot. Bonds4

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

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67254934) has the molecular formula C23H14F4N2O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID67254934
Molecular FormulaC23H14F4N2O2
Molecular Weight426.37 g/mol
Exact Mass426.10
IUPAC Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESC=C(C)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)o1
InChIInChI=1S/C23H14F4N2O2/c1-12(2)23-28-20(22(31-23)15-8-7-14(24)10-18(15)27)13-6-9-19(30)29(11-13)21-16(25)4-3-5-17(21)26/h3-11H,1H2,2H3
InChIKeyPALGWZFJXOOPHS-UHFFFAOYSA-N
XLogP5.75
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.75
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-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one (CID 67254934) is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one is C=C(C)c1nc(-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-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is PALGWZFJXOOPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O2/c1-12(2)23-28-20(22(31-23)15-8-7-14(24)10-18(15)27)13-6-9-19(30)29(11-13)21-16(25)4-3-5-17(21)26/h3-11H,1H2,2H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 426.37 g/mol, XLogP of 5.75, 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-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67254934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).