(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

C17H17NO4S — CID 102464759

IUPAC(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)OC[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S/c1-13(14-8-4-2-5-9-14)18-16(12-22-17(18)19)23(20,21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKeyIPMVGXZQPBQPKZ-CZUORRHYSA-N
MW331.39 g/mol
LogP3.00
Rot. Bonds4

About (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 102464759) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID102464759
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)OC[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S/c1-13(14-8-4-2-5-9-14)18-16(12-22-17(18)19)23(20,21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKeyIPMVGXZQPBQPKZ-CZUORRHYSA-N
XLogP3.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134975680
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 155415031
3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 3029673
(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione
CID 10858247
[2-[(2S)-5-oxo-4-[(1S)-1-phenylethyl]morpholin-2-yl]phenyl] benzenesulfonate
CID 87366748
(4aS,7aS)-6-(4-methylphenyl)sulfonyl-4-[(1S)-1-phenylethyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 118703786
(1S,4S,5R,7R,10S)-5-hydroxy-9-[(1S)-1-phenylethyl]-2-oxa-9-azatricyclo[5.2.1.04,10]decan-8-one
CID 132566575
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
CID 11414299
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 102464759) is (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is C[C@H](c1ccccc1)N1C(=O)OC[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is IPMVGXZQPBQPKZ-CZUORRHYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-13(14-8-4-2-5-9-14)18-16(12-22-17(18)19)23(20,21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1.
What are the key properties of (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 331.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102464759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).