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

C23H16F4N2O4 — CID 16666496

IUPAC1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one
SMILESC[C@@](O)(CO)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1
InChIInChI=1S/C23H16F4N2O4/c1-23(32,11-30)22-28-19(14-7-6-13(24)9-17(14)27)21(33-22)12-5-8-18(31)29(10-12)20-15(25)3-2-4-16(20)26/h2-10,30,32H,11H2,1H3/t23-/m1/s1
InChIKeyQUCAETVRQHEHDQ-HSZRJFAPSA-N
MW460.38 g/mol
LogP3.92
Rot. Bonds5

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

1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one (PubChem CID 16666496) has the molecular formula C23H16F4N2O4 and a molecular weight of 460.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one
PubChem CID16666496
Molecular FormulaC23H16F4N2O4
Molecular Weight460.38 g/mol
Exact Mass460.10
IUPAC Name1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one
SMILESC[C@@](O)(CO)c1nc(-c2ccc(F)cc2F)c(-c2ccc(=O)n(-c3c(F)cccc3F)c2)o1
InChIInChI=1S/C23H16F4N2O4/c1-23(32,11-30)22-28-19(14-7-6-13(24)9-17(14)27)21(33-22)12-5-8-18(31)29(10-12)20-15(25)3-2-4-16(20)26/h2-10,30,32H,11H2,1H3/t23-/m1/s1
InChIKeyQUCAETVRQHEHDQ-HSZRJFAPSA-N
XLogP3.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one (CID 16666496) is 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one is C[C@@](O)(CO)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-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one?
The InChIKey is QUCAETVRQHEHDQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H16F4N2O4/c1-23(32,11-30)22-28-19(14-7-6-13(24)9-17(14)27)21(33-22)12-5-8-18(31)29(10-12)20-15(25)3-2-4-16(20)26/h2-10,30,32H,11H2,1H3/t23-/m1/s1.
What are the key properties of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one has a molecular weight of 460.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one is sourced from PubChem (CID 16666496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).