[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C26H23FN6O5 — CID 154679431

About [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 154679431) has the molecular formula C26H23FN6O5 and a molecular weight of 518.51 g/mol. Its IUPAC name is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
• PubChem CID: 154679431
• Molecular Formula: C26H23FN6O5
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.17
• IUPAC Name: [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
• SMILES: COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(c6nc(C)no6)C5)cc4)no3)c2cc1F
• InChI: InChI=1S/C26H23FN6O5/c1-14-28-25(38-31-14)17-12-33(13-17)26(34)16-5-3-15(4-6-16)20-10-23(37-32-20)24-18-9-19(27)22(36-8-7-35-2)11-21(18)29-30-24/h3-6,9-11,17H,7-8,12-13H2,1-2H3,(H,29,30)
• InChIKey: JKFSVDQBAFNLSH-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 132.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?

The IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 154679431) is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

What is the SMILES notation for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?

The canonical SMILES for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(c6nc(C)no6)C5)cc4)no3)c2cc1F.

What is the InChIKey of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?

The InChIKey is JKFSVDQBAFNLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O5/c1-14-28-25(38-31-14)17-12-33(13-17)26(34)16-5-3-15(4-6-16)20-10-23(37-32-20)24-18-9-19(27)22(36-8-7-35-2)11-21(18)29-30-24/h3-6,9-11,17H,7-8,12-13H2,1-2H3,(H,29,30).

What are the key properties of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 518.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 154679431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).