(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C22H25FN4O2 — CID 125006423

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 125006423) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 125006423
• Molecular Formula: C22H25FN4O2
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.20
• IUPAC Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c1C
• InChI: InChI=1S/C22H25FN4O2/c1-3-19-14(2)20(26-25-19)22(28)27-10-4-5-16(13-27)21-24-12-18(29-21)11-15-6-8-17(23)9-7-15/h6-9,12,16H,3-5,10-11,13H2,1-2H3,(H,25,26)/t16-/m1/s1
• InChIKey: UFZUTGGCNXQOMM-MRXNPFEDSA-N
• XLogP: 4.02
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 125006423) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c1C.

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

The InChIKey is UFZUTGGCNXQOMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-3-19-14(2)20(26-25-19)22(28)27-10-4-5-16(13-27)21-24-12-18(29-21)11-15-6-8-17(23)9-7-15/h6-9,12,16H,3-5,10-11,13H2,1-2H3,(H,25,26)/t16-/m1/s1.

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

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 396.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125006423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).