methyl 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-carboxylate

C18H23N3O7 — CID 24862308

IUPACmethyl 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-carboxylate
SMILESCOC(=O)c1coc(-c2coc([C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C18H23N3O7/c1-17(2,3)28-16(23)21-12(9-27-18(21,4)5)14-19-10(7-26-14)13-20-11(8-25-13)15(22)24-6/h7-8,12H,9H2,1-6H3/t12-/m0/s1
InChIKeyUJCCBTHNILAMMY-LBPRGKRZSA-N
MW393.40 g/mol
LogP3.16
Rot. Bonds3

About methyl 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-carboxylate

methyl 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-carboxylate (PubChem CID 24862308) has the molecular formula C18H23N3O7 and a molecular weight of 393.40 g/mol. Its IUPAC name is methyl 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-carboxylate.

Molecular Properties

Compound Namemethyl 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-carboxylate
PubChem CID24862308
Molecular FormulaC18H23N3O7
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC Namemethyl 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-carboxylate
SMILESCOC(=O)c1coc(-c2coc([C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C18H23N3O7/c1-17(2,3)28-16(23)21-12(9-27-18(21,4)5)14-19-10(7-26-14)13-20-11(8-25-13)15(22)24-6/h7-8,12H,9H2,1-6H3/t12-/m0/s1
InChIKeyUJCCBTHNILAMMY-LBPRGKRZSA-N
XLogP3.16
TPSA117.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 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-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 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-carboxylate?
The IUPAC name of methyl 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-carboxylate (CID 24862308) is methyl 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-carboxylate.
What is the SMILES notation for methyl 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-carboxylate?
The canonical SMILES for methyl 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-carboxylate is COC(=O)c1coc(-c2coc([C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)n2)n1.
What is the InChIKey of methyl 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-carboxylate?
The InChIKey is UJCCBTHNILAMMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O7/c1-17(2,3)28-16(23)21-12(9-27-18(21,4)5)14-19-10(7-26-14)13-20-11(8-25-13)15(22)24-6/h7-8,12H,9H2,1-6H3/t12-/m0/s1.
What are the key properties of methyl 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-carboxylate?
methyl 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-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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-carboxylate is sourced from PubChem (CID 24862308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).