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

C19H20ClN3O6S — CID 118050873

IUPAC(2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESC[C@@](C[C@H]1CN(c2ccc(-c3ccc(Cl)cc3)cn2)C(=O)O1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20ClN3O6S/c1-19(17(24)22-26,30(2,27)28)9-15-11-23(18(25)29-15)16-8-5-13(10-21-16)12-3-6-14(20)7-4-12/h3-8,10,15,26H,9,11H2,1-2H3,(H,22,24)/t15-,19+/m0/s1
InChIKeyLKVVFUXPZDJINH-HNAYVOBHSA-N
MW453.90 g/mol
LogP2.43
Rot. Bonds6

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

(2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118050873) has the molecular formula C19H20ClN3O6S and a molecular weight of 453.90 g/mol. Its IUPAC name is (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118050873
Molecular FormulaC19H20ClN3O6S
Molecular Weight453.90 g/mol
Exact Mass453.08
IUPAC Name(2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESC[C@@](C[C@H]1CN(c2ccc(-c3ccc(Cl)cc3)cn2)C(=O)O1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20ClN3O6S/c1-19(17(24)22-26,30(2,27)28)9-15-11-23(18(25)29-15)16-8-5-13(10-21-16)12-3-6-14(20)7-4-12/h3-8,10,15,26H,9,11H2,1-2H3,(H,22,24)/t15-,19+/m0/s1
InChIKeyLKVVFUXPZDJINH-HNAYVOBHSA-N
XLogP2.43
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 52.43
H-Bond Donors ≤ 52
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)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid
CID 118051075
(2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050788
N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide
CID 118050389
3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050574
(2R)-3-[(5S)-3-(4-bromo-2,6-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051064
(2R)-N-hydroxy-3-[(5S)-3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118051026
3-[3-(2,3-difluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050604
3-[3-(4-but-2-ynoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051005
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[5-(triazol-2-yl)pent-1-ynyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118050410
3-[3-[4-(2-cyclopropylethynyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050897
3-[3-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 123633355
(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118050643

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (CID 118050873) is (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is C[C@@](C[C@H]1CN(c2ccc(-c3ccc(Cl)cc3)cn2)C(=O)O1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is LKVVFUXPZDJINH-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H20ClN3O6S/c1-19(17(24)22-26,30(2,27)28)9-15-11-23(18(25)29-15)16-8-5-13(10-21-16)12-3-6-14(20)7-4-12/h3-8,10,15,26H,9,11H2,1-2H3,(H,22,24)/t15-,19+/m0/s1.
What are the key properties of (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
(2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 453.90 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118050873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).