N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C25H32N4O6 — CID 59217705

About N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 59217705) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 59217705
• Molecular Formula: C25H32N4O6
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.23
• IUPAC Name: N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1
• InChI: InChI=1S/C25H32N4O6/c1-15-12-19(29-35-15)23(32)28-20(14-34-4)24(33)26-16(2)22(31)27-18(21(30)25(3)10-11-25)13-17-8-6-5-7-9-17/h5-9,12,16,18,20H,10-11,13-14H2,1-4H3,(H,26,33)(H,27,31)(H,28,32)/t16-,18-,20-/m0/s1
• InChIKey: CEQDTDGNVRGZJC-QRFRQXIXSA-N
• XLogP: 1.33
• TPSA: 139.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 59217705) is N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is CEQDTDGNVRGZJC-QRFRQXIXSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-15-12-19(29-35-15)23(32)28-20(14-34-4)24(33)26-16(2)22(31)27-18(21(30)25(3)10-11-25)13-17-8-6-5-7-9-17/h5-9,12,16,18,20H,10-11,13-14H2,1-4H3,(H,26,33)(H,27,31)(H,28,32)/t16-,18-,20-/m0/s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 1.33, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59217705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).