4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C13H20N2O5S — CID 121392908

IUPAC4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC/C=C/c1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)no1
InChIInChI=1S/C13H20N2O5S/c1-4-5-6-11-9-10(15-20-11)7-8-13(2,12(16)14-17)21(3,18)19/h5-6,9,17H,4,7-8H2,1-3H3,(H,14,16)/b6-5+
InChIKeyQYAMMAAJIFLOJK-AATRIKPKSA-N
MW316.38 g/mol
LogP1.34
Rot. Bonds7

About 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 121392908) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID121392908
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC/C=C/c1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)no1
InChIInChI=1S/C13H20N2O5S/c1-4-5-6-11-9-10(15-20-11)7-8-13(2,12(16)14-17)21(3,18)19/h5-6,9,17H,4,7-8H2,1-3H3,(H,14,16)/b6-5+
InChIKeyQYAMMAAJIFLOJK-AATRIKPKSA-N
XLogP1.34
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.34
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

(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
N-hydroxy-2-methyl-2-methylsulfonyl-4-[5-(2-phenylethynyl)-1,2-oxazol-3-yl]butanamide
CID 121392918
(2R)-4-[5-(2-cyclobutylethynyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 121392956
4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66557928
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-methylsulfonylpentanamide
CID 155407178
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684305
4-[5-[2-(3-hydroxycyclobutyl)ethynyl]-1,2-oxazol-3-yl]-2-methyl-2-methylsulfonylbutanoic acid
CID 121392888
4-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684337
4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
ethyl 4-[5-[2-[4-(hydroxymethyl)phenyl]ethynyl]-1,2-oxazol-3-yl]-2-methyl-2-methylsulfonylbutanoate
CID 121392911

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 121392908) is 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC/C=C/c1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)no1.
What is the InChIKey of 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is QYAMMAAJIFLOJK-AATRIKPKSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-5-6-11-9-10(15-20-11)7-8-13(2,12(16)14-17)21(3,18)19/h5-6,9,17H,4,7-8H2,1-3H3,(H,14,16)/b6-5+.
What are the key properties of 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 316.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 121392908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).