4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C31H37N5O6 — CID 155762624

About 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155762624) has the molecular formula C31H37N5O6 and a molecular weight of 575.67 g/mol. Its IUPAC name is 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 155762624
• Molecular Formula: C31H37N5O6
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.27
• IUPAC Name: 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)c1conc1C(N)=O)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O
• InChI: InChI=1S/C31H37N5O6/c1-18(2)13-26(31(41)34-22(16-37)14-21-10-6-12-33-29(21)39)35-30(40)24(25-17-42-36-27(25)28(32)38)15-20-9-5-8-19-7-3-4-11-23(19)20/h3-5,7-9,11,16-18,21-22,24,26H,6,10,12-15H2,1-2H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t21-,22-,24+,26-/m0/s1
• InChIKey: RULZUDJFPZUEAB-HEJCWENXSA-N
• XLogP: 2.38
• TPSA: 173.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 155762624) is 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)c1conc1C(N)=O)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O.

What is the InChIKey of 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is RULZUDJFPZUEAB-HEJCWENXSA-N. The full InChI is InChI=1S/C31H37N5O6/c1-18(2)13-26(31(41)34-22(16-37)14-21-10-6-12-33-29(21)39)35-30(40)24(25-17-42-36-27(25)28(32)38)15-20-9-5-8-19-7-3-4-11-23(19)20/h3-5,7-9,11,16-18,21-22,24,26H,6,10,12-15H2,1-2H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t21-,22-,24+,26-/m0/s1.

What are the key properties of 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?

4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 575.67 g/mol, XLogP of 2.38, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155762624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).