N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide

C15H18FN3O4S — CID 53133860

IUPACN-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O4S/c1-3-10(2)17-14(20)15-18-13(19-23-15)8-9-24(21,22)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyALKZSDRKWQNEMO-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.75
Rot. Bonds7

About N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide

N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53133860) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53133860
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC NameN-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O4S/c1-3-10(2)17-14(20)15-18-13(19-23-15)8-9-24(21,22)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyALKZSDRKWQNEMO-UHFFFAOYSA-N
XLogP1.75
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide (CID 53133860) is N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide is CCC(C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ALKZSDRKWQNEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-3-10(2)17-14(20)15-18-13(19-23-15)8-9-24(21,22)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-(4-fluorophenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53133860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).