[(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate

C19H17INO6- — CID 58988289

IUPAC[(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate
SMILESO=C1N[C@@H]([C@@H](CO[I-]C(=O)c2ccccc2)OC(=O)c2ccccc2)CO1
InChIInChI=1S/C19H17INO6/c22-17(13-7-3-1-4-8-13)20-26-12-16(15-11-25-19(24)21-15)27-18(23)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,24)/q-1/t15-,16-/m1/s1
InChIKeyWHSDZNAFESKISS-HZPDHXFCSA-N
MW482.25 g/mol
LogP-0.82
Rot. Bonds8

About [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate

[(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate (PubChem CID 58988289) has the molecular formula C19H17INO6- and a molecular weight of 482.25 g/mol. Its IUPAC name is [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate.

Molecular Properties

Compound Name[(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate
PubChem CID58988289
Molecular FormulaC19H17INO6-
Molecular Weight482.25 g/mol
Exact Mass482.01
IUPAC Name[(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate
SMILESO=C1N[C@@H]([C@@H](CO[I-]C(=O)c2ccccc2)OC(=O)c2ccccc2)CO1
InChIInChI=1S/C19H17INO6/c22-17(13-7-3-1-4-8-13)20-26-12-16(15-11-25-19(24)21-15)27-18(23)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,24)/q-1/t15-,16-/m1/s1
InChIKeyWHSDZNAFESKISS-HZPDHXFCSA-N
XLogP-0.82
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
CID 15923967
[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate
CID 90291631
benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10958326
ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10912347
(4R)-4-[(R)-(4-hydroxyphenyl)-phenylmethyl]-1,3-oxazolidin-2-one
CID 141261165
(1-cyclohexyl-2-hydroxyethyl) benzoate
CID 85344980
(2R,3R)-2-acetyloxy-3-benzoyloxybutanedioic acid
CID 159363648
3-benzoyloxy-3-cyclohexylpropanoic acid
CID 170239924
[(S)-1,3-benzodioxol-5-yl-[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl] acetate
CID 101338854
1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl benzoate
CID 19884220
[2-[[(2S)-2-benzoyloxy-2-cyclopropylethoxy]methyl]phenyl]methyl benzoate
CID 67588936
1,2,2-trichloroethyl benzoate
CID 67853900

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate?
The IUPAC name of [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate (CID 58988289) is [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate.
What is the SMILES notation for [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate?
The canonical SMILES for [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate is O=C1N[C@@H]([C@@H](CO[I-]C(=O)c2ccccc2)OC(=O)c2ccccc2)CO1.
What is the InChIKey of [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate?
The InChIKey is WHSDZNAFESKISS-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H17INO6/c22-17(13-7-3-1-4-8-13)20-26-12-16(15-11-25-19(24)21-15)27-18(23)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,24)/q-1/t15-,16-/m1/s1.
What are the key properties of [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate?
[(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate has a molecular weight of 482.25 g/mol, XLogP of -0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-benzoyliodanuidyloxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]ethyl] benzoate is sourced from PubChem (CID 58988289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).