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

C14H18N4O2 — CID 66207662

IUPAC3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCC1C2CNCC2CN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C14H18N4O2/c1-9-11-6-15-5-10(11)7-18(9)8-13-16-14(17-20-13)12-3-2-4-19-12/h2-4,9-11,15H,5-8H2,1H3
InChIKeyPBRYLASHODYVCG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.37
Rot. Bonds3

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

3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 66207662) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID66207662
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCC1C2CNCC2CN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C14H18N4O2/c1-9-11-6-15-5-10(11)7-18(9)8-13-16-14(17-20-13)12-3-2-4-19-12/h2-4,9-11,15H,5-8H2,1H3
InChIKeyPBRYLASHODYVCG-UHFFFAOYSA-N
XLogP1.37
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole (CID 66207662) is 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole is CC1C2CNCC2CN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is PBRYLASHODYVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-11-6-15-5-10(11)7-18(9)8-13-16-14(17-20-13)12-3-2-4-19-12/h2-4,9-11,15H,5-8H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66207662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).