methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C24H22N4O8 — CID 11984205

About methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 11984205) has the molecular formula C24H22N4O8 and a molecular weight of 494.46 g/mol. Its IUPAC name is methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• PubChem CID: 11984205
• Molecular Formula: C24H22N4O8
• Molecular Weight: 494.46 g/mol
• Exact Mass: 494.14
• IUPAC Name: methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1coc(-c2coc(-c3coc([C@@H]4COC(C)(C)N4C(=O)OCc4ccccc4)n3)n2)n1
• InChI: InChI=1S/C24H22N4O8/c1-24(2)28(23(30)35-9-14-7-5-4-6-8-14)18(13-36-24)21-26-16(11-34-21)19-25-15(10-32-19)20-27-17(12-33-20)22(29)31-3/h4-8,10-12,18H,9,13H2,1-3H3/t18-/m0/s1
• InChIKey: CQRDEJNIXQXHNF-SFHVURJKSA-N
• XLogP: 4.22
• TPSA: 143.16 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.46
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

The IUPAC name of methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 11984205) is methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

What is the SMILES notation for methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

The canonical SMILES for methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2coc(-c3coc([C@@H]4COC(C)(C)N4C(=O)OCc4ccccc4)n3)n2)n1.

What is the InChIKey of methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

The InChIKey is CQRDEJNIXQXHNF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22N4O8/c1-24(2)28(23(30)35-9-14-7-5-4-6-8-14)18(13-36-24)21-26-16(11-34-21)19-25-15(10-32-19)20-27-17(12-33-20)22(29)31-3/h4-8,10-12,18H,9,13H2,1-3H3/t18-/m0/s1.

What are the key properties of methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 494.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11984205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).