2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole

C9H8N2O3S — CID 134066521

IUPAC2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCC3CO3)o2)c1
InChIInChI=1S/C9H8N2O3S/c1-2-7(12-3-1)8-10-11-9(14-8)15-5-6-4-13-6/h1-3,6H,4-5H2
InChIKeyRHPRXHJFJFOEOR-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.82
Rot. Bonds4

About 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole

2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 134066521) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID134066521
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCC3CO3)o2)c1
InChIInChI=1S/C9H8N2O3S/c1-2-7(12-3-1)8-10-11-9(14-8)15-5-6-4-13-6/h1-3,6H,4-5H2
InChIKeyRHPRXHJFJFOEOR-UHFFFAOYSA-N
XLogP1.82
TPSA64.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 51066084
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7560295
2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42885759
2-(furan-2-yl)-5-[[(5R)-3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33279090
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 861905
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 3172877
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33279095
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-methyl-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 62254193
N-(4-chlorophenyl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 655667

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 134066521) is 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole is c1coc(-c2nnc(SCC3CO3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is RHPRXHJFJFOEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-7(12-3-1)8-10-11-9(14-8)15-5-6-4-13-6/h1-3,6H,4-5H2.
What are the key properties of 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 224.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 134066521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).