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

C25H32N4O8 — CID 16717981

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

N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16717981) has the molecular formula C25H32N4O8 and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 16717981
• Molecular Formula: C25H32N4O8
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.22
• IUPAC Name: N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COCC(NC(=O)c1cc(C)on1)C(=O)NC(C)C(=O)NC(Cc1ccc(OC)cc1)C(=O)C1(C)CO1
• InChI: InChI=1S/C25H32N4O8/c1-14-10-19(29-37-14)23(32)28-20(12-34-4)24(33)26-15(2)22(31)27-18(21(30)25(3)13-36-25)11-16-6-8-17(35-5)9-7-16/h6-10,15,18,20H,11-13H2,1-5H3,(H,26,33)(H,27,31)(H,28,32)
• InChIKey: LTZFVYHYOFUVJI-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 161.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	0.33
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-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 16717981) is N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-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-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COCC(NC(=O)c1cc(C)on1)C(=O)NC(C)C(=O)NC(Cc1ccc(OC)cc1)C(=O)C1(C)CO1.

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

The InChIKey is LTZFVYHYOFUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O8/c1-14-10-19(29-37-14)23(32)28-20(12-34-4)24(33)26-15(2)22(31)27-18(21(30)25(3)13-36-25)11-16-6-8-17(35-5)9-7-16/h6-10,15,18,20H,11-13H2,1-5H3,(H,26,33)(H,27,31)(H,28,32).

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

N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 0.33, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methoxy-1-[[1-[[3-(4-methoxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16717981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).