2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide

C18H15N3O3S — CID 72871755

IUPAC2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3noc(Cc4cccs4)n3)ccc2o1
InChIInChI=1S/C18H15N3O3S/c1-11-7-13-8-12(4-5-15(13)23-11)18(22)19-10-16-20-17(24-21-16)9-14-3-2-6-25-14/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyXBSBMSWEGXUTAQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide

2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide (PubChem CID 72871755) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
PubChem CID72871755
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3noc(Cc4cccs4)n3)ccc2o1
InChIInChI=1S/C18H15N3O3S/c1-11-7-13-8-12(4-5-15(13)23-11)18(22)19-10-16-20-17(24-21-16)9-14-3-2-6-25-14/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyXBSBMSWEGXUTAQ-UHFFFAOYSA-N
XLogP3.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 74249537
2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627
1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea
CID 72864349
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72855915
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 50754812
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide (CID 72871755) is 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)NCc3noc(Cc4cccs4)n3)ccc2o1.
What is the InChIKey of 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide?
The InChIKey is XBSBMSWEGXUTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-7-13-8-12(4-5-15(13)23-11)18(22)19-10-16-20-17(24-21-16)9-14-3-2-6-25-14/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide?
2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72871755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).