5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one

C18H17F2N3O3 — CID 169410849

About 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one

5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one (PubChem CID 169410849) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one.

Molecular Properties

• Compound Name: 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one
• PubChem CID: 169410849
• Molecular Formula: C18H17F2N3O3
• Molecular Weight: 361.35 g/mol
• Exact Mass: 361.12
• IUPAC Name: 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one
• SMILES: O=C1CCC(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CN1
• InChI: InChI=1S/C18H17F2N3O3/c19-12-5-11(6-13(20)7-12)17-22-14-9-23(4-3-15(14)26-17)18(25)10-1-2-16(24)21-8-10/h5-7,10H,1-4,8-9H2,(H,21,24)
• InChIKey: JVAAUBOJCIEWKJ-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.35
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one?

The IUPAC name of 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one (CID 169410849) is 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one.

What is the SMILES notation for 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one?

The canonical SMILES for 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CN1.

What is the InChIKey of 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one?

The InChIKey is JVAAUBOJCIEWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-12-5-11(6-13(20)7-12)17-22-14-9-23(4-3-15(14)26-17)18(25)10-1-2-16(24)21-8-10/h5-7,10H,1-4,8-9H2,(H,21,24).

What are the key properties of 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one?

5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one has a molecular weight of 361.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one is sourced from PubChem (CID 169410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).