N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

C24H28F3N5O6 — CID 166170396

About N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 166170396) has the molecular formula C24H28F3N5O6 and a molecular weight of 539.51 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 166170396
• Molecular Formula: C24H28F3N5O6
• Molecular Weight: 539.51 g/mol
• Exact Mass: 539.20
• IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)on1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F
• InChI: InChI=1S/C24H28F3N5O6/c1-13(2)9-17(31-23(36)18-11-20(38-32-18)15-5-3-4-7-28-15)22(35)30-16(10-14-6-8-29-21(14)34)19(33)12-37-24(25,26)27/h3-5,7,11,13-14,16-17H,6,8-10,12H2,1-2H3,(H,29,34)(H,30,35)(H,31,36)/t14-,16-,17-/m0/s1
• InChIKey: SSJWXYGBYOQKSD-XIRDDKMYSA-N
• XLogP: 2.00
• TPSA: 152.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.51
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 166170396) is N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)on1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is SSJWXYGBYOQKSD-XIRDDKMYSA-N. The full InChI is InChI=1S/C24H28F3N5O6/c1-13(2)9-17(31-23(36)18-11-20(38-32-18)15-5-3-4-7-28-15)22(35)30-16(10-14-6-8-29-21(14)34)19(33)12-37-24(25,26)27/h3-5,7,11,13-14,16-17H,6,8-10,12H2,1-2H3,(H,29,34)(H,30,35)(H,31,36)/t14-,16-,17-/m0/s1.

What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?

N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 539.51 g/mol, XLogP of 2.00, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166170396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).