methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate

C23H23ClN2O5 — CID 11166645

IUPACmethyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate
SMILESCOC(=O)COc1cccc2c(C[C@H](C)N3C[C@@H](c4cccc(Cl)c4)OC3=O)c[nH]c12
InChIInChI=1S/C23H23ClN2O5/c1-14(26-12-20(31-23(26)28)15-5-3-6-17(24)10-15)9-16-11-25-22-18(16)7-4-8-19(22)30-13-21(27)29-2/h3-8,10-11,14,20,25H,9,12-13H2,1-2H3/t14-,20-/m0/s1
InChIKeyAOEFAAUTSBWMAE-XOBRGWDASA-N
MW442.90 g/mol
LogP4.50
Rot. Bonds7

About methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate

methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate (PubChem CID 11166645) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate
PubChem CID11166645
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC Namemethyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate
SMILESCOC(=O)COc1cccc2c(C[C@H](C)N3C[C@@H](c4cccc(Cl)c4)OC3=O)c[nH]c12
InChIInChI=1S/C23H23ClN2O5/c1-14(26-12-20(31-23(26)28)15-5-3-6-17(24)10-15)9-16-11-25-22-18(16)7-4-8-19(22)30-13-21(27)29-2/h3-8,10-11,14,20,25H,9,12-13H2,1-2H3/t14-,20-/m0/s1
InChIKeyAOEFAAUTSBWMAE-XOBRGWDASA-N
XLogP4.50
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate?
The IUPAC name of methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate (CID 11166645) is methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate is COC(=O)COc1cccc2c(C[C@H](C)N3C[C@@H](c4cccc(Cl)c4)OC3=O)c[nH]c12.
What is the InChIKey of methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate?
The InChIKey is AOEFAAUTSBWMAE-XOBRGWDASA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-14(26-12-20(31-23(26)28)15-5-3-6-17(24)10-15)9-16-11-25-22-18(16)7-4-8-19(22)30-13-21(27)29-2/h3-8,10-11,14,20,25H,9,12-13H2,1-2H3/t14-,20-/m0/s1.
What are the key properties of methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate?
methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate has a molecular weight of 442.90 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate is sourced from PubChem (CID 11166645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).