5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C12H14N2O3S — CID 72855593

IUPAC5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCSCc1ccc(-c2nc(C3CCOC3)no2)o1
InChIInChI=1S/C12H14N2O3S/c1-18-7-9-2-3-10(16-9)12-13-11(14-17-12)8-4-5-15-6-8/h2-3,8H,4-7H2,1H3
InChIKeyVUSJSNDSMDXZLX-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.70
Rot. Bonds4

About 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72855593) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72855593
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCSCc1ccc(-c2nc(C3CCOC3)no2)o1
InChIInChI=1S/C12H14N2O3S/c1-18-7-9-2-3-10(16-9)12-13-11(14-17-12)8-4-5-15-6-8/h2-3,8H,4-7H2,1H3
InChIKeyVUSJSNDSMDXZLX-UHFFFAOYSA-N
XLogP2.70
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72855593) is 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is CSCc1ccc(-c2nc(C3CCOC3)no2)o1.
What is the InChIKey of 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is VUSJSNDSMDXZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18-7-9-2-3-10(16-9)12-13-11(14-17-12)8-4-5-15-6-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 266.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methylsulfanylmethyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72855593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).