2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C23H25FN4O3 — CID 124981031

About 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 124981031) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 124981031
• Molecular Formula: C23H25FN4O3
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.19
• IUPAC Name: 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1
• InChI: InChI=1S/C23H25FN4O3/c1-15-8-18(10-17-4-3-5-19(24)11-17)12-20(25-15)21-13-28(6-7-30-21)14-23(29)26-22-9-16(2)31-27-22/h3-5,8-9,11-12,21H,6-7,10,13-14H2,1-2H3,(H,26,27,29)/t21-/m0/s1
• InChIKey: MNGFQUFXCRESOP-NRFANRHFSA-N
• XLogP: 3.43
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 124981031) is 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1.

What is the InChIKey of 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is MNGFQUFXCRESOP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15-8-18(10-17-4-3-5-19(24)11-17)12-20(25-15)21-13-28(6-7-30-21)14-23(29)26-22-9-16(2)31-27-22/h3-5,8-9,11-12,21H,6-7,10,13-14H2,1-2H3,(H,26,27,29)/t21-/m0/s1.

What are the key properties of 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 124981031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).