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

C17H21N3O6S — CID 118050788

IUPAC(2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCCC#Cc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)nc1
InChIInChI=1S/C17H21N3O6S/c1-4-5-6-12-7-8-14(18-10-12)20-11-13(26-16(20)22)9-17(2,15(21)19-23)27(3,24)25/h7-8,10,13,23H,4,9,11H2,1-3H3,(H,19,21)/t13-,17+/m0/s1
InChIKeyREPSZNVCVIEMAM-SUMWQHHRSA-N
MW395.44 g/mol
LogP0.87
Rot. Bonds5

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

(2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118050788) has the molecular formula C17H21N3O6S and a molecular weight of 395.44 g/mol. Its IUPAC name is (2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118050788
Molecular FormulaC17H21N3O6S
Molecular Weight395.44 g/mol
Exact Mass395.12
IUPAC Name(2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCCC#Cc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)nc1
InChIInChI=1S/C17H21N3O6S/c1-4-5-6-12-7-8-14(18-10-12)20-11-13(26-16(20)22)9-17(2,15(21)19-23)27(3,24)25/h7-8,10,13,23H,4,9,11H2,1-3H3,(H,19,21)/t13-,17+/m0/s1
InChIKeyREPSZNVCVIEMAM-SUMWQHHRSA-N
XLogP0.87
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 50.87
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide with MolForge

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Related Compounds

N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide
CID 118050389
(2R)-3-[(5S)-3-[5-(4-chlorophenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050873
(2R)-N-hydroxy-3-[(5S)-3-[4-(6-hydroxyhept-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118050424
3-[3-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 123633355
3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050574
(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
N-hydroxy-3-[3-[4-(6-methoxyhex-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118050498
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-[3-(oxolan-3-yl)prop-1-ynyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118051006
(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid
CID 118051075
3-[3-(2,3-difluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050604
(2R)-3-[(5S)-3-(4-bromo-2,6-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051064

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (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) is (2R)-3-[(5S)-3-(5-but-1-ynyl-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-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is CCC#Cc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)nc1.
What is the InChIKey of (2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is REPSZNVCVIEMAM-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H21N3O6S/c1-4-5-6-12-7-8-14(18-10-12)20-11-13(26-16(20)22)9-17(2,15(21)19-23)27(3,24)25/h7-8,10,13,23H,4,9,11H2,1-3H3,(H,19,21)/t13-,17+/m0/s1.
What are the key properties of (2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
(2R)-3-[(5S)-3-(5-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 395.44 g/mol, XLogP of 0.87, 5 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-but-1-ynyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118050788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).