4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C17H22N2O7S — CID 66557928

IUPAC4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1cccc(OC)c1-c1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)no1
InChIInChI=1S/C17H22N2O7S/c1-17(16(20)18-21,27(4,22)23)9-8-11-10-14(26-19-11)15-12(24-2)6-5-7-13(15)25-3/h5-7,10,21H,8-9H2,1-4H3,(H,18,20)
InChIKeyRCPSDMXTLOQNBB-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.60
Rot. Bonds8

About 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 66557928) has the molecular formula C17H22N2O7S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID66557928
Molecular FormulaC17H22N2O7S
Molecular Weight398.44 g/mol
Exact Mass398.11
IUPAC Name4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1cccc(OC)c1-c1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)no1
InChIInChI=1S/C17H22N2O7S/c1-17(16(20)18-21,27(4,22)23)9-8-11-10-14(26-19-11)15-12(24-2)6-5-7-13(15)25-3/h5-7,10,21H,8-9H2,1-4H3,(H,18,20)
InChIKeyRCPSDMXTLOQNBB-UHFFFAOYSA-N
XLogP1.60
TPSA127.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-hydroxy-4-[5-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]-1,2-oxazol-3-yl]-2-methyl-2-methylsulfonylbutanamide
CID 121392872
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165472079
4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663394
4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663399
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
CID 71462277
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
2-(2-methoxyphenoxy)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314664
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
CID 134522536
N-hydroxy-2-methyl-2-methylsulfonyl-4-[5-(2-phenylethyl)indazol-1-yl]butanamide
CID 118174823

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 66557928) is 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is COc1cccc(OC)c1-c1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)no1.
What is the InChIKey of 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is RCPSDMXTLOQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7S/c1-17(16(20)18-21,27(4,22)23)9-8-11-10-14(26-19-11)15-12(24-2)6-5-7-13(15)25-3/h5-7,10,21H,8-9H2,1-4H3,(H,18,20).
What are the key properties of 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 398.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 66557928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).