N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C25H35N5O5 — CID 118608179

About N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118608179) has the molecular formula C25H35N5O5 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 118608179
• Molecular Formula: C25H35N5O5
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.26
• IUPAC Name: N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)[C@H](CC2CCNCC2)N[C@](C=O)(NC(=O)c2cc(C)on2)[C@@H](C)O)cc1
• InChI: InChI=1S/C25H35N5O5/c1-16-4-6-20(7-5-16)14-27-23(33)21(13-19-8-10-26-11-9-19)28-25(15-31,18(3)32)29-24(34)22-12-17(2)35-30-22/h4-7,12,15,18-19,21,26,28,32H,8-11,13-14H2,1-3H3,(H,27,33)(H,29,34)/t18-,21+,25-/m1/s1
• InChIKey: IEDCKZGPLUEVBB-DHTSOJEISA-N
• XLogP: 0.96
• TPSA: 145.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 118608179) is N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)[C@H](CC2CCNCC2)N[C@](C=O)(NC(=O)c2cc(C)on2)[C@@H](C)O)cc1.

What is the InChIKey of N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is IEDCKZGPLUEVBB-DHTSOJEISA-N. The full InChI is InChI=1S/C25H35N5O5/c1-16-4-6-20(7-5-16)14-27-23(33)21(13-19-8-10-26-11-9-19)28-25(15-31,18(3)32)29-24(34)22-12-17(2)35-30-22/h4-7,12,15,18-19,21,26,28,32H,8-11,13-14H2,1-3H3,(H,27,33)(H,29,34)/t18-,21+,25-/m1/s1.

What are the key properties of N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 0.96, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).