ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane

C26H48N4O7 — CID 143460305

About ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane

ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane (PubChem CID 143460305) has the molecular formula C26H48N4O7 and a molecular weight of 528.69 g/mol. Its IUPAC name is ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane.

Molecular Properties

• Compound Name: ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane
• PubChem CID: 143460305
• Molecular Formula: C26H48N4O7
• Molecular Weight: 528.69 g/mol
• Exact Mass: 528.35
• IUPAC Name: ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane
• SMILES: CC.CC(C)C[C@H](NC(=O)CNC=O)C(=O)C1(C)CO1.CCC.COCC(C)NC(=O)c1cc(C)on1
• InChI: InChI=1S/C12H20N2O4.C9H14N2O3.C3H8.C2H6/c1-8(2)4-9(11(17)12(3)6-18-12)14-10(16)5-13-7-15;1-6(5-13-3)10-9(12)8-4-7(2)14-11-8;1-3-2;1-2/h7-9H,4-6H2,1-3H3,(H,13,15)(H,14,16);4,6H,5H2,1-3H3,(H,10,12);3H2,1-2H3;1-2H3/t9-,12?;;;/m0.../s1
• InChIKey: GWQMYQYSOZHNBL-QJCFMHMNSA-N
• XLogP: 2.81
• TPSA: 152.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.69
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane?

The IUPAC name of ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane (CID 143460305) is ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane.

What is the SMILES notation for ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane?

The canonical SMILES for ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane is CC.CC(C)C[C@H](NC(=O)CNC=O)C(=O)C1(C)CO1.CCC.COCC(C)NC(=O)c1cc(C)on1.

What is the InChIKey of ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane?

The InChIKey is GWQMYQYSOZHNBL-QJCFMHMNSA-N. The full InChI is InChI=1S/C12H20N2O4.C9H14N2O3.C3H8.C2H6/c1-8(2)4-9(11(17)12(3)6-18-12)14-10(16)5-13-7-15;1-6(5-13-3)10-9(12)8-4-7(2)14-11-8;1-3-2;1-2/h7-9H,4-6H2,1-3H3,(H,13,15)(H,14,16);4,6H,5H2,1-3H3,(H,10,12);3H2,1-2H3;1-2H3/t9-,12?;;;/m0.../s1.

What are the key properties of ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane?

ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane has a molecular weight of 528.69 g/mol, XLogP of 2.81, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane is sourced from PubChem (CID 143460305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).