5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole

C15H21N5O3S — CID 171148955

IUPAC5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole
SMILESCCc1nc(C23CCCC2CN(S(=O)(=O)c2cn(C)cn2)C3)no1
InChIInChI=1S/C15H21N5O3S/c1-3-12-17-14(18-23-12)15-6-4-5-11(15)7-20(9-15)24(21,22)13-8-19(2)10-16-13/h8,10-11H,3-7,9H2,1-2H3
InChIKeyBLGFUKGGMNAWFM-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.11
Rot. Bonds4

About 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole

5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole (PubChem CID 171148955) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole
PubChem CID171148955
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole
SMILESCCc1nc(C23CCCC2CN(S(=O)(=O)c2cn(C)cn2)C3)no1
InChIInChI=1S/C15H21N5O3S/c1-3-12-17-14(18-23-12)15-6-4-5-11(15)7-20(9-15)24(21,22)13-8-19(2)10-16-13/h8,10-11H,3-7,9H2,1-2H3
InChIKeyBLGFUKGGMNAWFM-UHFFFAOYSA-N
XLogP1.11
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole (CID 171148955) is 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole is CCc1nc(C23CCCC2CN(S(=O)(=O)c2cn(C)cn2)C3)no1.
What is the InChIKey of 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole?
The InChIKey is BLGFUKGGMNAWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-3-12-17-14(18-23-12)15-6-4-5-11(15)7-20(9-15)24(21,22)13-8-19(2)10-16-13/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole?
5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole has a molecular weight of 351.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 171148955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).