1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone

C19H20F2N2O3 — CID 170507325

About 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone

1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone (PubChem CID 170507325) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone
• PubChem CID: 170507325
• Molecular Formula: C19H20F2N2O3
• Molecular Weight: 362.38 g/mol
• Exact Mass: 362.14
• IUPAC Name: 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone
• SMILES: O=C(CC1CCCOC1)N1CCc2oc(-c3cc(F)cc(F)c3)nc2C1
• InChI: InChI=1S/C19H20F2N2O3/c20-14-7-13(8-15(21)9-14)19-22-16-10-23(4-3-17(16)26-19)18(24)6-12-2-1-5-25-11-12/h7-9,12H,1-6,10-11H2
• InChIKey: IYZFEBZKAAGDOB-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.38
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone?

The IUPAC name of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone (CID 170507325) is 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone.

What is the SMILES notation for 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone?

The canonical SMILES for 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone is O=C(CC1CCCOC1)N1CCc2oc(-c3cc(F)cc(F)c3)nc2C1.

What is the InChIKey of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone?

The InChIKey is IYZFEBZKAAGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-14-7-13(8-15(21)9-14)19-22-16-10-23(4-3-17(16)26-19)18(24)6-12-2-1-5-25-11-12/h7-9,12H,1-6,10-11H2.

What are the key properties of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone?

1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone has a molecular weight of 362.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone is sourced from PubChem (CID 170507325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).