[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C21H23FN4O2 — CID 125014318

About [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 125014318) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
• PubChem CID: 125014318
• Molecular Formula: C21H23FN4O2
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.18
• IUPAC Name: [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
• SMILES: Cn1ccc(C(=O)N2CCC[C@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)n1
• InChI: InChI=1S/C21H23FN4O2/c1-21(8-4-9-26(14-21)19(27)18-7-10-25(2)24-18)20-23-13-17(28-20)12-15-5-3-6-16(22)11-15/h3,5-7,10-11,13H,4,8-9,12,14H2,1-2H3/t21-/m0/s1
• InChIKey: WLNWQBPLZSMYEH-NRFANRHFSA-N
• XLogP: 3.33
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

The IUPAC name of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 125014318) is [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

The canonical SMILES for [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC[C@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)n1.

What is the InChIKey of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

The InChIKey is WLNWQBPLZSMYEH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(8-4-9-26(14-21)19(27)18-7-10-25(2)24-18)20-23-13-17(28-20)12-15-5-3-6-16(22)11-15/h3,5-7,10-11,13H,4,8-9,12,14H2,1-2H3/t21-/m0/s1.

What are the key properties of [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 125014318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).