N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide

C14H12FN3O4S — CID 71973851

IUPACN-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1
InChIInChI=1S/C14H12FN3O4S/c1-23(19,20)16-8-11-6-7-12(21-11)14-17-13(18-22-14)9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3
InChIKeyFKGBRKQMRRGNSE-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.18
Rot. Bonds5

About N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide

N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide (PubChem CID 71973851) has the molecular formula C14H12FN3O4S and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
PubChem CID71973851
Molecular FormulaC14H12FN3O4S
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC NameN-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1
InChIInChI=1S/C14H12FN3O4S/c1-23(19,20)16-8-11-6-7-12(21-11)14-17-13(18-22-14)9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3
InChIKeyFKGBRKQMRRGNSE-UHFFFAOYSA-N
XLogP2.18
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
CID 71973848
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
1-[4-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methoxy]phenyl]ethanone
CID 19326322
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
3-(4-fluorophenyl)-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
4-[[5-(4-fluorophenyl)furan-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 30784702
3-(4-methylphenyl)-5-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077147
4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
CID 45492959
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 17101469

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide (CID 71973851) is N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1.
What is the InChIKey of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
The InChIKey is FKGBRKQMRRGNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4S/c1-23(19,20)16-8-11-6-7-12(21-11)14-17-13(18-22-14)9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3.
What are the key properties of N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide?
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide has a molecular weight of 337.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71973851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).