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

C18H23N3O6S — CID 118050389

IUPACN-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide
SMILESCC(C)C#Cc1ccc(N2CC(CC(C)(C(=O)NO)S(C)(=O)=O)OC2=O)nc1
InChIInChI=1S/C18H23N3O6S/c1-12(2)5-6-13-7-8-15(19-10-13)21-11-14(27-17(21)23)9-18(3,16(22)20-24)28(4,25)26/h7-8,10,12,14,24H,9,11H2,1-4H3,(H,20,22)
InChIKeyPRJMSBNZBQKHIQ-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.11
Rot. Bonds5

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

N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide (PubChem CID 118050389) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide
PubChem CID118050389
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide
SMILESCC(C)C#Cc1ccc(N2CC(CC(C)(C(=O)NO)S(C)(=O)=O)OC2=O)nc1
InChIInChI=1S/C18H23N3O6S/c1-12(2)5-6-13-7-8-15(19-10-13)21-11-14(27-17(21)23)9-18(3,16(22)20-24)28(4,25)26/h7-8,10,12,14,24H,9,11H2,1-4H3,(H,20,22)
InChIKeyPRJMSBNZBQKHIQ-UHFFFAOYSA-N
XLogP1.11
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.11
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'}

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Related Compounds

(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
(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-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050574
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-but-2-ynoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051005
(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid
CID 118051075
(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-(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
(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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide (CID 118050389) is N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide is CC(C)C#Cc1ccc(N2CC(CC(C)(C(=O)NO)S(C)(=O)=O)OC2=O)nc1.
What is the InChIKey of N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide?
The InChIKey is PRJMSBNZBQKHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-12(2)5-6-13-7-8-15(19-10-13)21-11-14(27-17(21)23)9-18(3,16(22)20-24)28(4,25)26/h7-8,10,12,14,24H,9,11H2,1-4H3,(H,20,22).
What are the key properties of N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide?
N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide has a molecular weight of 409.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-3-[3-[5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 118050389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).