ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate

C19H27NO7S — CID 144840840

IUPACethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
SMILESCCOC(=O)[C@@](C)(C[C@H]1CN(c2ccc(CCCO)cc2)C(=O)O1)S(C)(=O)=O
InChIInChI=1S/C19H27NO7S/c1-4-26-17(22)19(2,28(3,24)25)12-16-13-20(18(23)27-16)15-9-7-14(8-10-15)6-5-11-21/h7-10,16,21H,4-6,11-13H2,1-3H3/t16-,19+/m0/s1
InChIKeyJNAOCVRSJRQIBM-QFBILLFUSA-N
MW413.49 g/mol
LogP1.69
Rot. Bonds9

About ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate

ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate (PubChem CID 144840840) has the molecular formula C19H27NO7S and a molecular weight of 413.49 g/mol. Its IUPAC name is ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
PubChem CID144840840
Molecular FormulaC19H27NO7S
Molecular Weight413.49 g/mol
Exact Mass413.15
IUPAC Nameethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
SMILESCCOC(=O)[C@@](C)(C[C@H]1CN(c2ccc(CCCO)cc2)C(=O)O1)S(C)(=O)=O
InChIInChI=1S/C19H27NO7S/c1-4-26-17(22)19(2,28(3,24)25)12-16-13-20(18(23)27-16)15-9-7-14(8-10-15)6-5-11-21/h7-10,16,21H,4-6,11-13H2,1-3H3/t16-,19+/m0/s1
InChIKeyJNAOCVRSJRQIBM-QFBILLFUSA-N
XLogP1.69
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate?
The IUPAC name of ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate (CID 144840840) is ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate.
What is the SMILES notation for ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate?
The canonical SMILES for ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate is CCOC(=O)[C@@](C)(C[C@H]1CN(c2ccc(CCCO)cc2)C(=O)O1)S(C)(=O)=O.
What is the InChIKey of ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate?
The InChIKey is JNAOCVRSJRQIBM-QFBILLFUSA-N. The full InChI is InChI=1S/C19H27NO7S/c1-4-26-17(22)19(2,28(3,24)25)12-16-13-20(18(23)27-16)15-9-7-14(8-10-15)6-5-11-21/h7-10,16,21H,4-6,11-13H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate?
ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate has a molecular weight of 413.49 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate is sourced from PubChem (CID 144840840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).