4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one

C18H20N4O3 — CID 56741498

IUPAC4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
SMILESCC1c2cccn2CCN1C(=O)CCCc1nc(-c2ccco2)no1
InChIInChI=1S/C18H20N4O3/c1-13-14-5-3-9-21(14)10-11-22(13)17(23)8-2-7-16-19-18(20-25-16)15-6-4-12-24-15/h3-6,9,12-13H,2,7-8,10-11H2,1H3
InChIKeyCSNBSVQYGKVHNS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.06
Rot. Bonds5

About 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one (PubChem CID 56741498) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
PubChem CID56741498
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
SMILESCC1c2cccn2CCN1C(=O)CCCc1nc(-c2ccco2)no1
InChIInChI=1S/C18H20N4O3/c1-13-14-5-3-9-21(14)10-11-22(13)17(23)8-2-7-16-19-18(20-25-16)15-6-4-12-24-15/h3-6,9,12-13H,2,7-8,10-11H2,1H3
InChIKeyCSNBSVQYGKVHNS-UHFFFAOYSA-N
XLogP3.06
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one (CID 56741498) is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one.
What is the SMILES notation for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The canonical SMILES for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one is CC1c2cccn2CCN1C(=O)CCCc1nc(-c2ccco2)no1.
What is the InChIKey of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The InChIKey is CSNBSVQYGKVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-14-5-3-9-21(14)10-11-22(13)17(23)8-2-7-16-19-18(20-25-16)15-6-4-12-24-15/h3-6,9,12-13H,2,7-8,10-11H2,1H3.
What are the key properties of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one has a molecular weight of 340.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one is sourced from PubChem (CID 56741498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).