1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

C22H20FN3O2 — CID 58110516

About 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (PubChem CID 58110516) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• PubChem CID: 58110516
• Molecular Formula: C22H20FN3O2
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.15
• IUPAC Name: 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1
• InChI: InChI=1S/C22H20FN3O2/c1-15-7-10-26(22-25-9-11-28-22)14-19(15)17-4-2-16(3-5-17)12-21(27)18-6-8-24-13-20(18)23/h2-6,8-9,11,13H,7,10,12,14H2,1H3
• InChIKey: KDOZSKPWRRUXQY-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (CID 58110516) is 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1.

What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The InChIKey is KDOZSKPWRRUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15-7-10-26(22-25-9-11-28-22)14-19(15)17-4-2-16(3-5-17)12-21(27)18-6-8-24-13-20(18)23/h2-6,8-9,11,13H,7,10,12,14H2,1H3.

What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone has a molecular weight of 377.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 58110516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).