(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C15H20N2O5S — CID 121392956

IUPAC(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1cc(C#CC2CCC2)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(22-17-12)7-6-11-4-3-5-11/h10-11,19H,3-5,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1
InChIKeyWQHXBELWDMILAB-OAHLLOKOSA-N
MW340.40 g/mol
LogP1.07
Rot. Bonds5

About (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 121392956) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID121392956
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1cc(C#CC2CCC2)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(22-17-12)7-6-11-4-3-5-11/h10-11,19H,3-5,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1
InChIKeyWQHXBELWDMILAB-OAHLLOKOSA-N
XLogP1.07
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-hydroxy-4-[5-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]-1,2-oxazol-3-yl]-2-methyl-2-methylsulfonylbutanamide
CID 121392872
N-hydroxy-2-methyl-2-methylsulfonyl-4-[5-(2-phenylethynyl)-1,2-oxazol-3-yl]butanamide
CID 121392918
4-[5-[2-(3-hydroxycyclobutyl)ethynyl]-1,2-oxazol-3-yl]-2-methyl-2-methylsulfonylbutanoic acid
CID 121392888
(2R)-4-[5-[(E)-but-2-en-2-yl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;(2R)-4-[5-[(Z)-but-2-en-2-yl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 161093590
4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 121392908
4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66557928
ethyl 4-[5-[2-[4-(hydroxymethyl)phenyl]ethynyl]-1,2-oxazol-3-yl]-2-methyl-2-methylsulfonylbutanoate
CID 121392911
4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663399
4-[4-[4-(2-cyclopentylethynyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 134362438
4-[4-[4-(2-cyclohexylethynyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 134362394
3-[(5R)-3-[4-(2-cyclopropylethynyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 134591139
3-[3-[4-(2-cyclopropylethynyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050897

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 121392956) is (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCc1cc(C#CC2CCC2)on1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is WQHXBELWDMILAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(22-17-12)7-6-11-4-3-5-11/h10-11,19H,3-5,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1.
What are the key properties of (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 340.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 121392956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).