3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

C26H19ClN2O5 — CID 58305269

IUPAC3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
SMILESO=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1
InChIInChI=1S/C26H19ClN2O5/c27-17-7-5-15(6-8-17)21-14-26(21)20-3-1-2-4-22(20)29(24(26)32)19-12-16(23(30)31)11-18(13-19)28-9-10-34-25(28)33/h1-8,11-13,21H,9-10,14H2,(H,30,31)/t21-,26+/m1/s1
InChIKeyUTOKZZMMFILFLW-RLWLMLJZSA-N
MW474.90 g/mol
LogP5.10
Rot. Bonds4

About 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid (PubChem CID 58305269) has the molecular formula C26H19ClN2O5 and a molecular weight of 474.90 g/mol. Its IUPAC name is 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
PubChem CID58305269
Molecular FormulaC26H19ClN2O5
Molecular Weight474.90 g/mol
Exact Mass474.10
IUPAC Name3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
SMILESO=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1
InChIInChI=1S/C26H19ClN2O5/c27-17-7-5-15(6-8-17)21-14-26(21)20-3-1-2-4-22(20)29(24(26)32)19-12-16(23(30)31)11-18(13-19)28-9-10-34-25(28)33/h1-8,11-13,21H,9-10,14H2,(H,30,31)/t21-,26+/m1/s1
InChIKeyUTOKZZMMFILFLW-RLWLMLJZSA-N
XLogP5.10
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.90
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The IUPAC name of 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid (CID 58305269) is 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid.
What is the SMILES notation for 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The canonical SMILES for 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid is O=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1.
What is the InChIKey of 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The InChIKey is UTOKZZMMFILFLW-RLWLMLJZSA-N. The full InChI is InChI=1S/C26H19ClN2O5/c27-17-7-5-15(6-8-17)21-14-26(21)20-3-1-2-4-22(20)29(24(26)32)19-12-16(23(30)31)11-18(13-19)28-9-10-34-25(28)33/h1-8,11-13,21H,9-10,14H2,(H,30,31)/t21-,26+/m1/s1.
What are the key properties of 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid has a molecular weight of 474.90 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid is sourced from PubChem (CID 58305269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).