5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole

C15H24N4O2 — CID 155958960

IUPAC5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@]23CCN(C)C[C@H]2CN(CC2COC2)C3)n1
InChIInChI=1S/C15H24N4O2/c1-11-16-14(21-17-11)15-3-4-18(2)6-13(15)7-19(10-15)5-12-8-20-9-12/h12-13H,3-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyQQYNYNKSXZXYJK-ZFWWWQNUSA-N
MW292.38 g/mol
LogP0.53
Rot. Bonds3

About 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole

5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 155958960) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID155958960
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@]23CCN(C)C[C@H]2CN(CC2COC2)C3)n1
InChIInChI=1S/C15H24N4O2/c1-11-16-14(21-17-11)15-3-4-18(2)6-13(15)7-19(10-15)5-12-8-20-9-12/h12-13H,3-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyQQYNYNKSXZXYJK-ZFWWWQNUSA-N
XLogP0.53
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole (CID 155958960) is 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@]23CCN(C)C[C@H]2CN(CC2COC2)C3)n1.
What is the InChIKey of 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is QQYNYNKSXZXYJK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-16-14(21-17-11)15-3-4-18(2)6-13(15)7-19(10-15)5-12-8-20-9-12/h12-13H,3-10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 292.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 155958960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).