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

C17H16FN3O2S — CID 110354848

IUPAC2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-2-13(11-5-7-12(18)8-6-11)17(22)19-10-15-20-16(21-23-15)14-4-3-9-24-14/h3-9,13H,2,10H2,1H3,(H,19,22)
InChIKeyIKKDOFVEWKMPDJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.75
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 110354848) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID110354848
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-2-13(11-5-7-12(18)8-6-11)17(22)19-10-15-20-16(21-23-15)14-4-3-9-24-14/h3-9,13H,2,10H2,1H3,(H,19,22)
InChIKeyIKKDOFVEWKMPDJ-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
2-(dimethylamino)-2-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 110632070
2-(2-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132652415
2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132653876
(2R)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 27261231
2,3,4-trifluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110293449
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
2-propan-2-ylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 99842394
2-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 46533225
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 110354848) is 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CCC(C(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is IKKDOFVEWKMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-2-13(11-5-7-12(18)8-6-11)17(22)19-10-15-20-16(21-23-15)14-4-3-9-24-14/h3-9,13H,2,10H2,1H3,(H,19,22).
What are the key properties of 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 345.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 110354848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).