2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

C16H15N3O3S — CID 2649562

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccco1
InChIInChI=1S/C16H15N3O3S/c20-14(17-10-13-7-4-8-21-13)11-23-16-19-18-15(22-16)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,20)
InChIKeyDBQPNOPCUOFURX-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.66
Rot. Bonds7

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2649562) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID2649562
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccco1
InChIInChI=1S/C16H15N3O3S/c20-14(17-10-13-7-4-8-21-13)11-23-16-19-18-15(22-16)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,20)
InChIKeyDBQPNOPCUOFURX-UHFFFAOYSA-N
XLogP2.66
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 652840
2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
CID 570879
2-[5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 646201
N-Furan-2-ylmethyl-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 654666
N-(2-furylmethyl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 1326212
N-(furan-2-ylmethylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2579270
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2681244
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
CID 3158865
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3245929
N-((5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)furan-2-carboxamide
CID 5051744
4-[3-(2-furylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-isopentylbenzamide
CID 5145940
N-[(5-{[(2E)-3-phenylprop-2-enyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 5771403

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 2649562) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccco1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DBQPNOPCUOFURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-14(17-10-13-7-4-8-21-13)11-23-16-19-18-15(22-16)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,20).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2649562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).