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

C11H18N4O — CID 106660109

IUPAC5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(N2CC3CNCC3C2(C)C)n1
InChIInChI=1S/C11H18N4O/c1-7-13-10(16-14-7)15-6-8-4-12-5-9(8)11(15,2)3/h8-9,12H,4-6H2,1-3H3
InChIKeyYQPLHMKZGLBXME-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.81
Rot. Bonds1

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

5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 106660109) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID106660109
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(N2CC3CNCC3C2(C)C)n1
InChIInChI=1S/C11H18N4O/c1-7-13-10(16-14-7)15-6-8-4-12-5-9(8)11(15,2)3/h8-9,12H,4-6H2,1-3H3
InChIKeyYQPLHMKZGLBXME-UHFFFAOYSA-N
XLogP0.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243194
7-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66242174
4,4-dimethyl-5-(4-nitrophenyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244649
3-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-fluorobenzonitrile
CID 102819132
7-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283768
4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244210
5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
CID 66242358
4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241959
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)sulfonylmethyl]-5-methyl-1,2-oxazole
CID 66243152
4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242783
4,4-dimethyl-5-(6-methylsulfanylpyrimidin-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 106973276
5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
CID 66243188

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole (CID 106660109) is 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(N2CC3CNCC3C2(C)C)n1.
What is the InChIKey of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is YQPLHMKZGLBXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-13-10(16-14-7)15-6-8-4-12-5-9(8)11(15,2)3/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole?
5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 222.29 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106660109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).