N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H33FN6O4 — CID 155179477

About N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155179477) has the molecular formula C26H33FN6O4 and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 155179477
• Molecular Formula: C26H33FN6O4
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.25
• IUPAC Name: N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: CC[C@H]1CCCCN1C(=O)CC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)c1nc2c(F)cccc2[nH]1
• InChI: InChI=1S/C26H33FN6O4/c1-4-17-8-5-6-13-33(17)22(34)12-11-20(30-26(36)21-14-15(2)37-32-21)25(35)28-16(3)24-29-19-10-7-9-18(27)23(19)31-24/h7,9-10,14,16-17,20H,4-6,8,11-13H2,1-3H3,(H,28,35)(H,29,31)(H,30,36)/t16-,17-,20-/m0/s1
• InChIKey: MSYCVPIVRFPFOA-ZWOKBUDYSA-N
• XLogP: 3.55
• TPSA: 133.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155179477) is N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is CC[C@H]1CCCCN1C(=O)CC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)c1nc2c(F)cccc2[nH]1.

What is the InChIKey of N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is MSYCVPIVRFPFOA-ZWOKBUDYSA-N. The full InChI is InChI=1S/C26H33FN6O4/c1-4-17-8-5-6-13-33(17)22(34)12-11-20(30-26(36)21-14-15(2)37-32-21)25(35)28-16(3)24-29-19-10-7-9-18(27)23(19)31-24/h7,9-10,14,16-17,20H,4-6,8,11-13H2,1-3H3,(H,28,35)(H,29,31)(H,30,36)/t16-,17-,20-/m0/s1.

What are the key properties of N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,5-dioxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155179477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).