methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate

C18H19NO5S — CID 139086707

IUPACmethyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate
SMILESCOC(=O)CN1OC[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO5S/c1-23-17(20)12-19-18(14-8-4-2-5-9-14)16(13-24-19)25(21,22)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18+/m0/s1
InChIKeyOKEBNKCZIDCJSL-FUHWJXTLSA-N
MW361.42 g/mol
LogP1.99
Rot. Bonds5

About methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate

methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate (PubChem CID 139086707) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate
PubChem CID139086707
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namemethyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate
SMILESCOC(=O)CN1OC[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO5S/c1-23-17(20)12-19-18(14-8-4-2-5-9-14)16(13-24-19)25(21,22)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18+/m0/s1
InChIKeyOKEBNKCZIDCJSL-FUHWJXTLSA-N
XLogP1.99
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate (CID 139086707) is methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate is COC(=O)CN1OC[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate?
The InChIKey is OKEBNKCZIDCJSL-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-23-17(20)12-19-18(14-8-4-2-5-9-14)16(13-24-19)25(21,22)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-,18+/m0/s1.
What are the key properties of methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate?
methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate has a molecular weight of 361.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4R)-4-(benzenesulfonyl)-3-phenyl-1,2-oxazolidin-2-yl]acetate is sourced from PubChem (CID 139086707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).