3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole

C15H20N4O4S — CID 171141395

IUPAC3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C23CCCC2CN(S(=O)(=O)c2c(C)noc2C)C3)no1
InChIInChI=1S/C15H20N4O4S/c1-9-13(10(2)22-17-9)24(20,21)19-7-12-5-4-6-15(12,8-19)14-16-11(3)23-18-14/h12H,4-8H2,1-3H3
InChIKeyIYCJYAGVWFHHQI-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.73
Rot. Bonds3

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

3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 171141395) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID171141395
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C23CCCC2CN(S(=O)(=O)c2c(C)noc2C)C3)no1
InChIInChI=1S/C15H20N4O4S/c1-9-13(10(2)22-17-9)24(20,21)19-7-12-5-4-6-15(12,8-19)14-16-11(3)23-18-14/h12H,4-8H2,1-3H3
InChIKeyIYCJYAGVWFHHQI-UHFFFAOYSA-N
XLogP1.73
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4aS,8aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 51972802
4-[[3a-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 155977022
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
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861933
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
2-cyclohexyl-8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 154579302
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
(3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146040551
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole (CID 171141395) is 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C23CCCC2CN(S(=O)(=O)c2c(C)noc2C)C3)no1.
What is the InChIKey of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is IYCJYAGVWFHHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-9-13(10(2)22-17-9)24(20,21)19-7-12-5-4-6-15(12,8-19)14-16-11(3)23-18-14/h12H,4-8H2,1-3H3.
What are the key properties of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole?
3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 352.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 171141395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).