3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole

C15H20N4O2 — CID 66209326

IUPAC3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCC1C2CNCC2CN1Cc1noc(-c2ccco2)n1
InChIInChI=1S/C15H20N4O2/c1-2-12-11-7-16-6-10(11)8-19(12)9-14-17-15(21-18-14)13-4-3-5-20-13/h3-5,10-12,16H,2,6-9H2,1H3
InChIKeyYXFOSWQXNHMIKH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds4

About 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole

3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 66209326) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID66209326
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCC1C2CNCC2CN1Cc1noc(-c2ccco2)n1
InChIInChI=1S/C15H20N4O2/c1-2-12-11-7-16-6-10(11)8-19(12)9-14-17-15(21-18-14)13-4-3-5-20-13/h3-5,10-12,16H,2,6-9H2,1H3
InChIKeyYXFOSWQXNHMIKH-UHFFFAOYSA-N
XLogP1.76
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole (CID 66209326) is 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole is CCC1C2CNCC2CN1Cc1noc(-c2ccco2)n1.
What is the InChIKey of 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is YXFOSWQXNHMIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-12-11-7-16-6-10(11)8-19(12)9-14-17-15(21-18-14)13-4-3-5-20-13/h3-5,10-12,16H,2,6-9H2,1H3.
What are the key properties of 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 66209326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).