(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide

C15H18N2O5S — CID 66559118

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
SMILESC[C@@](CCc1cc(-c2ccccc2)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H18N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(22-17-12)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1
InChIKeyNKXXDRHXPHFZJV-OAHLLOKOSA-N
MW338.38 g/mol
LogP1.58
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide (PubChem CID 66559118) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
PubChem CID66559118
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
SMILESC[C@@](CCc1cc(-c2ccccc2)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H18N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(22-17-12)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1
InChIKeyNKXXDRHXPHFZJV-OAHLLOKOSA-N
XLogP1.58
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.58
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'}

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Related Compounds

3-[2-(Tert-butylsulfonyl)phenyl]-5-phenyl-4-isoxazolecarboxamide
CID 1040629
4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66557925
4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66558016
N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
CID 66558021
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1,2-oxazol-5-yl)butanamide
CID 66559115
(2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66559116
(2R)-4-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66559117
4-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66559119
N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 51355577
N-((1,2-Benzisoxazol-3-ylmethyl)sulfonyl)acetamide
CID 10467478
4-[3-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 71453381
N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide
CID 56774103

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide (CID 66559118) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide is C[C@@](CCc1cc(-c2ccccc2)on1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is NKXXDRHXPHFZJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(22-17-12)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 338.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 66559118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).