5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole

C16H24N6O2 — CID 167806560

IUPAC5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCOCc1nnc(N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)n1C
InChIInChI=1S/C16H24N6O2/c1-4-23-9-13-18-19-15(21(13)3)22-8-12-6-5-7-16(12,10-22)14-17-11(2)20-24-14/h12H,4-10H2,1-3H3/t12-,16-/m0/s1
InChIKeyDUCKIDICEJPRKS-LRDDRELGSA-N
MW332.41 g/mol
LogP1.60
Rot. Bonds5

About 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole

5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 167806560) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID167806560
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCOCc1nnc(N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)n1C
InChIInChI=1S/C16H24N6O2/c1-4-23-9-13-18-19-15(21(13)3)22-8-12-6-5-7-16(12,10-22)14-17-11(2)20-24-14/h12H,4-10H2,1-3H3/t12-,16-/m0/s1
InChIKeyDUCKIDICEJPRKS-LRDDRELGSA-N
XLogP1.60
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole (CID 167806560) is 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole is CCOCc1nnc(N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)n1C.
What is the InChIKey of 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is DUCKIDICEJPRKS-LRDDRELGSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-23-9-13-18-19-15(21(13)3)22-8-12-6-5-7-16(12,10-22)14-17-11(2)20-24-14/h12H,4-10H2,1-3H3/t12-,16-/m0/s1.
What are the key properties of 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 332.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aR)-2-[5-(ethoxymethyl)-4-methyl-1,2,4-triazol-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 167806560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).