2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C10H11N3O3S — CID 42208984

IUPAC2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(-c2nnc(SCC(N)=O)o2)c(C)o1
InChIInChI=1S/C10H11N3O3S/c1-5-3-7(6(2)15-5)9-12-13-10(16-9)17-4-8(11)14/h3H,4H2,1-2H3,(H2,11,14)
InChIKeyLWMQGAGBKNJIDN-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.52
Rot. Bonds4

About 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 42208984) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID42208984
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(-c2nnc(SCC(N)=O)o2)c(C)o1
InChIInChI=1S/C10H11N3O3S/c1-5-3-7(6(2)15-5)9-12-13-10(16-9)17-4-8(11)14/h3H,4H2,1-2H3,(H2,11,14)
InChIKeyLWMQGAGBKNJIDN-UHFFFAOYSA-N
XLogP1.52
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 42208984) is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(-c2nnc(SCC(N)=O)o2)c(C)o1.
What is the InChIKey of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LWMQGAGBKNJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-5-3-7(6(2)15-5)9-12-13-10(16-9)17-4-8(11)14/h3H,4H2,1-2H3,(H2,11,14).
What are the key properties of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 253.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 42208984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).