1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one

C19H17FN2O3 — CID 25365222

About 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one

1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 25365222) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one
• PubChem CID: 25365222
• Molecular Formula: C19H17FN2O3
• Molecular Weight: 340.35 g/mol
• Exact Mass: 340.12
• IUPAC Name: 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one
• SMILES: O=C(CCc1ccco1)N1CCc2onc(-c3ccccc3F)c2C1
• InChI: InChI=1S/C19H17FN2O3/c20-16-6-2-1-5-14(16)19-15-12-22(10-9-17(15)25-21-19)18(23)8-7-13-4-3-11-24-13/h1-6,11H,7-10,12H2
• InChIKey: AXUCKXBKVFHSRA-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 59.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.35
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one?

The IUPAC name of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one (CID 25365222) is 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one.

What is the SMILES notation for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one?

The canonical SMILES for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCc2onc(-c3ccccc3F)c2C1.

What is the InChIKey of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one?

The InChIKey is AXUCKXBKVFHSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-16-6-2-1-5-14(16)19-15-12-22(10-9-17(15)25-21-19)18(23)8-7-13-4-3-11-24-13/h1-6,11H,7-10,12H2.

What are the key properties of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one?

1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 340.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 25365222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).