N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H33FN6O4 — CID 166980288

About N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 166980288) has the molecular formula C26H33FN6O4 and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 166980288
• Molecular Formula: C26H33FN6O4
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.25
• IUPAC Name: N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)[C@H](O)N[C@@H](C)c2ncc(-c3ccc(F)cc3)[nH]2)no1
• InChI: InChI=1S/C26H33FN6O4/c1-15-6-4-5-11-33(15)23(34)13-20(31-26(36)21-12-16(2)37-32-21)25(35)29-17(3)24-28-14-22(30-24)18-7-9-19(27)10-8-18/h7-10,12,14-15,17,20,25,29,35H,4-6,11,13H2,1-3H3,(H,28,30)(H,31,36)/t15-,17-,20-,25-/m0/s1
• InChIKey: JLOGOSNZQUUXKR-URXKWEQPSA-N
• XLogP: 3.07
• TPSA: 136.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 166980288) is N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)[C@H](O)N[C@@H](C)c2ncc(-c3ccc(F)cc3)[nH]2)no1.

What is the InChIKey of N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is JLOGOSNZQUUXKR-URXKWEQPSA-N. The full InChI is InChI=1S/C26H33FN6O4/c1-15-6-4-5-11-33(15)23(34)13-20(31-26(36)21-12-16(2)37-32-21)25(35)29-17(3)24-28-14-22(30-24)18-7-9-19(27)10-8-18/h7-10,12,14-15,17,20,25,29,35H,4-6,11,13H2,1-3H3,(H,28,30)(H,31,36)/t15-,17-,20-,25-/m0/s1.

What are the key properties of N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 3.07, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1-hydroxy-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166980288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).