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

C17H19N3O3S — CID 136513569

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
SMILESCc1cc(CCCC(=O)NCc2noc(-c3ccco3)n2)c(C)s1
InChIInChI=1S/C17H19N3O3S/c1-11-9-13(12(2)24-11)5-3-7-16(21)18-10-15-19-17(23-20-15)14-6-4-8-22-14/h4,6,8-9H,3,5,7,10H2,1-2H3,(H,18,21)
InChIKeyKSGYBJVKQYMNHX-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.65
Rot. Bonds7

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

4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide (PubChem CID 136513569) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
PubChem CID136513569
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
SMILESCc1cc(CCCC(=O)NCc2noc(-c3ccco3)n2)c(C)s1
InChIInChI=1S/C17H19N3O3S/c1-11-9-13(12(2)24-11)5-3-7-16(21)18-10-15-19-17(23-20-15)14-6-4-8-22-14/h4,6,8-9H,3,5,7,10H2,1-2H3,(H,18,21)
InChIKeyKSGYBJVKQYMNHX-UHFFFAOYSA-N
XLogP3.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
CID 124510383
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 50973647
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 50755881
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77096679
1-(3,4-dimethylphenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 138006353

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide (CID 136513569) is 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide is Cc1cc(CCCC(=O)NCc2noc(-c3ccco3)n2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The InChIKey is KSGYBJVKQYMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-9-13(12(2)24-11)5-3-7-16(21)18-10-15-19-17(23-20-15)14-6-4-8-22-14/h4,6,8-9H,3,5,7,10H2,1-2H3,(H,18,21).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide has a molecular weight of 345.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide is sourced from PubChem (CID 136513569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).