3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide

C13H14FN3O4S — CID 146154133

IUPAC3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide
SMILESCc1cc(-c2noc(CCC(=O)NS(C)(=O)=O)n2)ccc1F
InChIInChI=1S/C13H14FN3O4S/c1-8-7-9(3-4-10(8)14)13-15-12(21-16-13)6-5-11(18)17-22(2,19)20/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyMMCXEHWYKJJFLS-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.19
Rot. Bonds5

About 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide (PubChem CID 146154133) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide
PubChem CID146154133
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide
SMILESCc1cc(-c2noc(CCC(=O)NS(C)(=O)=O)n2)ccc1F
InChIInChI=1S/C13H14FN3O4S/c1-8-7-9(3-4-10(8)14)13-15-12(21-16-13)6-5-11(18)17-22(2,19)20/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyMMCXEHWYKJJFLS-UHFFFAOYSA-N
XLogP1.19
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
N-(3-aminopropyl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119408374
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid
CID 119213412
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86970981
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide
CID 75404721
N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547182
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)propanamide
CID 155947117
2-[ethyl-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119205992
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide (CID 146154133) is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide is Cc1cc(-c2noc(CCC(=O)NS(C)(=O)=O)n2)ccc1F.
What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide?
The InChIKey is MMCXEHWYKJJFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4S/c1-8-7-9(3-4-10(8)14)13-15-12(21-16-13)6-5-11(18)17-22(2,19)20/h3-4,7H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide?
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide has a molecular weight of 327.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 146154133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).