(4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one

C18H19NO5S — CID 56594938

IUPAC(4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO5S/c1-25(22,23)15-9-7-14(8-10-15)17(20)16-12-24-18(21)19(16)11-13-5-3-2-4-6-13/h2-10,16-17,20H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyHSQYVIXGHZDQSD-SJORKVTESA-N
MW361.42 g/mol
LogP2.14
Rot. Bonds5

About (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one

(4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 56594938) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID56594938
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name(4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO5S/c1-25(22,23)15-9-7-14(8-10-15)17(20)16-12-24-18(21)19(16)11-13-5-3-2-4-6-13/h2-10,16-17,20H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyHSQYVIXGHZDQSD-SJORKVTESA-N
XLogP2.14
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one (CID 56594938) is (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one is CS(=O)(=O)c1ccc([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HSQYVIXGHZDQSD-SJORKVTESA-N. The full InChI is InChI=1S/C18H19NO5S/c1-25(22,23)15-9-7-14(8-10-15)17(20)16-12-24-18(21)19(16)11-13-5-3-2-4-6-13/h2-10,16-17,20H,11-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 361.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(S)-hydroxy-(4-methylsulfonylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56594938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).