1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one

C18H24N4O5 — CID 137342822

IUPAC1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC2CN(Cc3nc(-c4ccco4)no3)CC2(CO)C1
InChIInChI=1S/C18H24N4O5/c1-25-6-4-16(24)22-8-13-7-21(10-18(13,11-22)12-23)9-15-19-17(20-27-15)14-3-2-5-26-14/h2-3,5,13,23H,4,6-12H2,1H3
InChIKeyHDYNSOMHGACNBE-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.62
Rot. Bonds7

About 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one

1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one (PubChem CID 137342822) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
PubChem CID137342822
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC2CN(Cc3nc(-c4ccco4)no3)CC2(CO)C1
InChIInChI=1S/C18H24N4O5/c1-25-6-4-16(24)22-8-13-7-21(10-18(13,11-22)12-23)9-15-19-17(20-27-15)14-3-2-5-26-14/h2-3,5,13,23H,4,6-12H2,1H3
InChIKeyHDYNSOMHGACNBE-UHFFFAOYSA-N
XLogP0.62
TPSA105.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one (CID 137342822) is 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one is COCCC(=O)N1CC2CN(Cc3nc(-c4ccco4)no3)CC2(CO)C1.
What is the InChIKey of 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one?
The InChIKey is HDYNSOMHGACNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-25-6-4-16(24)22-8-13-7-21(10-18(13,11-22)12-23)9-15-19-17(20-27-15)14-3-2-5-26-14/h2-3,5,13,23H,4,6-12H2,1H3.
What are the key properties of 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one?
1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one has a molecular weight of 376.41 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 137342822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).