5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C14H14N4O4S2 — CID 47062167

IUPAC5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)S(=O)(=O)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H14N4O4S2/c1-8(14-16-12(18-22-14)9-2-3-9)24(19,20)7-11-15-13(17-21-11)10-4-5-23-6-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyJQAOQDUYVUSUOM-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.73
Rot. Bonds6

About 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 47062167) has the molecular formula C14H14N4O4S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID47062167
Molecular FormulaC14H14N4O4S2
Molecular Weight366.42 g/mol
Exact Mass366.05
IUPAC Name5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)S(=O)(=O)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H14N4O4S2/c1-8(14-16-12(18-22-14)9-2-3-9)24(19,20)7-11-15-13(17-21-11)10-4-5-23-6-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyJQAOQDUYVUSUOM-UHFFFAOYSA-N
XLogP2.73
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 47062167) is 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is CC(c1nc(C2CC2)no1)S(=O)(=O)Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is JQAOQDUYVUSUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S2/c1-8(14-16-12(18-22-14)9-2-3-9)24(19,20)7-11-15-13(17-21-11)10-4-5-23-6-10/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 366.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 47062167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).