N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C23H36N4O8 — CID 139342693

About N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 139342693) has the molecular formula C23H36N4O8 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 139342693
• Molecular Formula: C23H36N4O8
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.25
• IUPAC Name: N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COCCC(NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C23H36N4O8/c1-13(2)9-16(19(28)23(4)12-34-23)25-22(31)18(11-33-6)26-20(29)15(7-8-32-5)24-21(30)17-10-14(3)35-27-17/h10,13,15-16,18H,7-9,11-12H2,1-6H3,(H,24,30)(H,25,31)(H,26,29)/t15?,16?,18-,23+/m0/s1
• InChIKey: FLWXAVVOUAOMEW-MIRXVNBUSA-N
• XLogP: 0.14
• TPSA: 161.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 139342693) is N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COCCC(NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1.

What is the InChIKey of N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is FLWXAVVOUAOMEW-MIRXVNBUSA-N. The full InChI is InChI=1S/C23H36N4O8/c1-13(2)9-16(19(28)23(4)12-34-23)25-22(31)18(11-33-6)26-20(29)15(7-8-32-5)24-21(30)17-10-14(3)35-27-17/h10,13,15-16,18H,7-9,11-12H2,1-6H3,(H,24,30)(H,25,31)(H,26,29)/t15?,16?,18-,23+/m0/s1.

What are the key properties of N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 0.14, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139342693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).