(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide

C23H28N2O7S — CID 118059208

IUPAC(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESC[C@@H](O)Cc1ccc(-c2ccc(N3C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC3=O)cc2)cc1
InChIInChI=1S/C23H28N2O7S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)25-14-20(32-22(25)28)13-23(2,21(27)24-29)33(3,30)31/h4-11,15,20,26,29H,12-14H2,1-3H3,(H,24,27)/t15-,20+,23-/m1/s1
InChIKeyDDOYNQFIQRQZRM-ZNRXUEPQSA-N
MW476.55 g/mol
LogP2.30
Rot. Bonds8

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

(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118059208) has the molecular formula C23H28N2O7S and a molecular weight of 476.55 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID118059208
Molecular FormulaC23H28N2O7S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC Name(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESC[C@@H](O)Cc1ccc(-c2ccc(N3C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC3=O)cc2)cc1
InChIInChI=1S/C23H28N2O7S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)25-14-20(32-22(25)28)13-23(2,21(27)24-29)33(3,30)31/h4-11,15,20,26,29H,12-14H2,1-3H3,(H,24,27)/t15-,20+,23-/m1/s1
InChIKeyDDOYNQFIQRQZRM-ZNRXUEPQSA-N
XLogP2.30
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
CID 118051063
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-propylphenyl)-1,3-oxazolidin-5-yl]propanamide
CID 91755032
(2R)-3-[(5S)-3-(4-cyclopropylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050444
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide
CID 118050731
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide
CID 118050868
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118051087
(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118059204
(2R)-4-{4'-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2'-fluorobiphenyl-4-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 86668778
(2R)-3-[(5S)-3-[4-(4-fluorobut-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050416
3-[3-[4-(4-fluorobut-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050417
(2R)-3-[(5S)-3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050499
3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050501

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide (CID 118059208) is (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide is C[C@@H](O)Cc1ccc(-c2ccc(N3C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC3=O)cc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is DDOYNQFIQRQZRM-ZNRXUEPQSA-N. The full InChI is InChI=1S/C23H28N2O7S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)25-14-20(32-22(25)28)13-23(2,21(27)24-29)33(3,30)31/h4-11,15,20,26,29H,12-14H2,1-3H3,(H,24,27)/t15-,20+,23-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 476.55 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118059208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).