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

C21H16FN3O3 — CID 108808987

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

5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 108808987) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one
• PubChem CID: 108808987
• Molecular Formula: C21H16FN3O3
• Molecular Weight: 377.38 g/mol
• Exact Mass: 377.12
• IUPAC Name: 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one
• SMILES: O=C1Cc2cc(C(=O)N3CCc4noc(-c5ccc(F)cc5)c4C3)ccc2N1
• InChI: InChI=1S/C21H16FN3O3/c22-15-4-1-12(2-5-15)20-16-11-25(8-7-18(16)24-28-20)21(27)13-3-6-17-14(9-13)10-19(26)23-17/h1-6,9H,7-8,10-11H2,(H,23,26)
• InChIKey: IDWRCHBFBDPFGJ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.38
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one (CID 108808987) is 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one.

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

The canonical SMILES for 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CCc4noc(-c5ccc(F)cc5)c4C3)ccc2N1.

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

The InChIKey is IDWRCHBFBDPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-15-4-1-12(2-5-15)20-16-11-25(8-7-18(16)24-28-20)21(27)13-3-6-17-14(9-13)10-19(26)23-17/h1-6,9H,7-8,10-11H2,(H,23,26).

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

5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 377.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 108808987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).