1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone

C23H16F2N2O2 — CID 162128318

IUPAC1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone
SMILESCc1ccc(-c2cnco2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16F2N2O2/c1-14-5-7-16(22-12-26-13-29-22)10-17(14)20-8-6-15(11-27-20)9-21(28)23-18(24)3-2-4-19(23)25/h2-8,10-13H,9H2,1H3
InChIKeyZIIIJPIHGGUJOG-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.42
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone

1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone (PubChem CID 162128318) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone
PubChem CID162128318
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone
SMILESCc1ccc(-c2cnco2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16F2N2O2/c1-14-5-7-16(22-12-26-13-29-22)10-17(14)20-8-6-15(11-27-20)9-21(28)23-18(24)3-2-4-19(23)25/h2-8,10-13H,9H2,1H3
InChIKeyZIIIJPIHGGUJOG-UHFFFAOYSA-N
XLogP5.42
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.42
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)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone (CID 162128318) is 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone is Cc1ccc(-c2cnco2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone?
The InChIKey is ZIIIJPIHGGUJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-14-5-7-16(22-12-26-13-29-22)10-17(14)20-8-6-15(11-27-20)9-21(28)23-18(24)3-2-4-19(23)25/h2-8,10-13H,9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone?
1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone has a molecular weight of 390.39 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 162128318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).