[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

C23H21FN4O2 — CID 124954588

About [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 124954588) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
• PubChem CID: 124954588
• Molecular Formula: C23H21FN4O2
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.16
• IUPAC Name: [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
• SMILES: O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
• InChI: InChI=1S/C23H21FN4O2/c24-16-10-8-15(9-11-16)13-17-14-25-22(30-17)20-7-3-4-12-28(20)23(29)21-18-5-1-2-6-19(18)26-27-21/h1-2,5-6,8-11,14,20H,3-4,7,12-13H2,(H,26,27)/t20-/m0/s1
• InChIKey: FDSUXBGNDGQCFJ-FQEVSTJZSA-N
• XLogP: 4.65
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

The IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 124954588) is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone.

What is the SMILES notation for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

The canonical SMILES for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1.

What is the InChIKey of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

The InChIKey is FDSUXBGNDGQCFJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-16-10-8-15(9-11-16)13-17-14-25-22(30-17)20-7-3-4-12-28(20)23(29)21-18-5-1-2-6-19(18)26-27-21/h1-2,5-6,8-11,14,20H,3-4,7,12-13H2,(H,26,27)/t20-/m0/s1.

What are the key properties of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 404.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 124954588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).