(1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate

C38H59N5O10 — CID 52936086

About (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate

(1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 52936086) has the molecular formula C38H59N5O10 and a molecular weight of 745.91 g/mol. Its IUPAC name is (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 52936086
• Molecular Formula: C38H59N5O10
• Molecular Weight: 745.91 g/mol
• Exact Mass: 745.43
• IUPAC Name: (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate
• SMILES: COCCCOc1cc(C[C@@H](C[C@H]2[C@H](C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)OCN2C(=O)OCOC(=O)c2cn(C)cn2)C(C)C)ccc1OC
• InChI: InChI=1S/C38H59N5O10/c1-24(2)27(15-26-11-12-31(49-9)33(16-26)50-14-10-13-48-8)17-30-32(18-28(25(3)4)34(44)40-20-38(5,6)36(39)46)51-22-43(30)37(47)53-23-52-35(45)29-19-42(7)21-41-29/h11-12,16,19,21,24-25,27-28,30,32H,10,13-15,17-18,20,22-23H2,1-9H3,(H2,39,46)(H,40,44)/t27-,28-,30-,32-/m0/s1
• InChIKey: DSAHOEMLNXKDQI-JMECZCOQSA-N
• XLogP: 4.32
• TPSA: 182.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.91
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

The IUPAC name of (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate (CID 52936086) is (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate is COCCCOc1cc(C[C@@H](C[C@H]2[C@H](C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)OCN2C(=O)OCOC(=O)c2cn(C)cn2)C(C)C)ccc1OC.

What is the InChIKey of (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

The InChIKey is DSAHOEMLNXKDQI-JMECZCOQSA-N. The full InChI is InChI=1S/C38H59N5O10/c1-24(2)27(15-26-11-12-31(49-9)33(16-26)50-14-10-13-48-8)17-30-32(18-28(25(3)4)34(44)40-20-38(5,6)36(39)46)51-22-43(30)37(47)53-23-52-35(45)29-19-42(7)21-41-29/h11-12,16,19,21,24-25,27-28,30,32H,10,13-15,17-18,20,22-23H2,1-9H3,(H2,39,46)(H,40,44)/t27-,28-,30-,32-/m0/s1.

What are the key properties of (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

(1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 745.91 g/mol, XLogP of 4.32, 21 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylimidazole-4-carbonyl)oxymethyl (4S,5S)-5-[(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 52936086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).