1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten

C15H18N2O3W — CID 59890261

IUPAC1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten
SMILESCC(=[W])NC[C@H]1CN(c2ccc3c(c2)CC(C)O3)C(=O)O1
InChIInChI=1S/C15H18N2O3.W/c1-3-16-8-13-9-17(15(18)20-13)12-4-5-14-11(7-12)6-10(2)19-14;/h4-5,7,10,13,16H,6,8-9H2,1-2H3;/t10?,13-;/m0./s1
InChIKeyZEWMKXPHZADHFA-FOKUGOJKSA-N
MW458.16 g/mol
LogP1.62
Rot. Bonds4

About 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten

1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten (PubChem CID 59890261) has the molecular formula C15H18N2O3W and a molecular weight of 458.16 g/mol. Its IUPAC name is 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten.

Molecular Properties

Compound Name1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten
PubChem CID59890261
Molecular FormulaC15H18N2O3W
Molecular Weight458.16 g/mol
Exact Mass458.08
IUPAC Name1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten
SMILESCC(=[W])NC[C@H]1CN(c2ccc3c(c2)CC(C)O3)C(=O)O1
InChIInChI=1S/C15H18N2O3.W/c1-3-16-8-13-9-17(15(18)20-13)12-4-5-14-11(7-12)6-10(2)19-14;/h4-5,7,10,13,16H,6,8-9H2,1-2H3;/t10?,13-;/m0./s1
InChIKeyZEWMKXPHZADHFA-FOKUGOJKSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
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CID 19012489
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629
3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea
CID 110328047
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-ethylbutanamide
CID 110328010
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-(3,4-dihydro-1H-isothiochromen-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10268088
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten?
The IUPAC name of 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten (CID 59890261) is 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten.
What is the SMILES notation for 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten?
The canonical SMILES for 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten is CC(=[W])NC[C@H]1CN(c2ccc3c(c2)CC(C)O3)C(=O)O1.
What is the InChIKey of 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten?
The InChIKey is ZEWMKXPHZADHFA-FOKUGOJKSA-N. The full InChI is InChI=1S/C15H18N2O3.W/c1-3-16-8-13-9-17(15(18)20-13)12-4-5-14-11(7-12)6-10(2)19-14;/h4-5,7,10,13,16H,6,8-9H2,1-2H3;/t10?,13-;/m0./s1.
What are the key properties of 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten?
1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten has a molecular weight of 458.16 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten is sourced from PubChem (CID 59890261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).