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

C16H19FN2O6S — CID 66559116

IUPAC(2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1
InChIInChI=1S/C16H19FN2O6S/c1-16(15(20)18-21,26(3,22)23)7-6-11-9-14(19-25-11)12-5-4-10(24-2)8-13(12)17/h4-5,8-9,21H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1
InChIKeyDJLDAJVHUGRNKZ-MRXNPFEDSA-N
MW386.40 g/mol
LogP1.73
Rot. Bonds7

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

(2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 66559116) has the molecular formula C16H19FN2O6S and a molecular weight of 386.40 g/mol. Its IUPAC name is (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID66559116
Molecular FormulaC16H19FN2O6S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name(2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1
InChIInChI=1S/C16H19FN2O6S/c1-16(15(20)18-21,26(3,22)23)7-6-11-9-14(19-25-11)12-5-4-10(24-2)8-13(12)17/h4-5,8-9,21H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1
InChIKeyDJLDAJVHUGRNKZ-MRXNPFEDSA-N
XLogP1.73
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.73
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'}

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Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
CID 66559118
3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole
CID 4327850
4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66557925
N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
CID 66558021
(2R)-4-[3-(2-fluoro-3-methoxyphenyl)isoxazol-5-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 66559039
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1,2-oxazol-5-yl)butanamide
CID 66559115
(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
4-[3-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 71453381
4-fluoro-N-{[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}benzenesulfonamide
CID 1480807
5-Ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole
CID 19608681
4-[5-Ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608685

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 66559116) is (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1.
What is the InChIKey of (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is DJLDAJVHUGRNKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19FN2O6S/c1-16(15(20)18-21,26(3,22)23)7-6-11-9-14(19-25-11)12-5-4-10(24-2)8-13(12)17/h4-5,8-9,21H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 386.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 66559116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).