methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C27H30N6O11 — CID 24862352

About methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 24862352) has the molecular formula C27H30N6O11 and a molecular weight of 614.57 g/mol. Its IUPAC name is methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• PubChem CID: 24862352
• Molecular Formula: C27H30N6O11
• Molecular Weight: 614.57 g/mol
• Exact Mass: 614.20
• IUPAC Name: methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1coc(-c2coc([C@H](CO)NC(=O)c3coc(-c4coc([C@@H]5COC(C)(C)N5C(=O)OC(C)(C)C)n4)n3)n2)n1
• InChI: InChI=1S/C27H30N6O11/c1-26(2,3)44-25(37)33-18(12-43-27(33,4)5)23-31-16(10-42-23)21-29-14(8-39-21)19(35)28-13(7-34)20-30-15(9-40-20)22-32-17(11-41-22)24(36)38-6/h8-11,13,18,34H,7,12H2,1-6H3,(H,28,35)/t13-,18-/m0/s1
• InChIKey: KOSDYAOMCGVZBA-UGSOOPFHSA-N
• XLogP: 3.27
• TPSA: 218.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.57
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 24862352) is methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

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

The canonical SMILES for methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2coc([C@H](CO)NC(=O)c3coc(-c4coc([C@@H]5COC(C)(C)N5C(=O)OC(C)(C)C)n4)n3)n2)n1.

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

The InChIKey is KOSDYAOMCGVZBA-UGSOOPFHSA-N. The full InChI is InChI=1S/C27H30N6O11/c1-26(2,3)44-25(37)33-18(12-43-27(33,4)5)23-31-16(10-42-23)21-29-14(8-39-21)19(35)28-13(7-34)20-30-15(9-40-20)22-32-17(11-41-22)24(36)38-6/h8-11,13,18,34H,7,12H2,1-6H3,(H,28,35)/t13-,18-/m0/s1.

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

methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 614.57 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[(1S)-1-[[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxyethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 24862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).