3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide

C19H16N4O5 — CID 50755881

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
SMILESCC(CC(=O)NCc1noc(-c2ccco2)n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N4O5/c1-11(23-18(25)12-5-2-3-6-13(12)19(23)26)9-16(24)20-10-15-21-17(28-22-15)14-7-4-8-27-14/h2-8,11H,9-10H2,1H3,(H,20,24)
InChIKeyCWOASRIRAPGYMG-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.02
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide

3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide (PubChem CID 50755881) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
PubChem CID50755881
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
SMILESCC(CC(=O)NCc1noc(-c2ccco2)n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N4O5/c1-11(23-18(25)12-5-2-3-6-13(12)19(23)26)9-16(24)20-10-15-21-17(28-22-15)14-7-4-8-27-14/h2-8,11H,9-10H2,1H3,(H,20,24)
InChIKeyCWOASRIRAPGYMG-UHFFFAOYSA-N
XLogP2.02
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
CID 120873237
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
3-cyano-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755586
4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 136513569
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
(1S)-1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 97156209
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77096679

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide (CID 50755881) is 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide is CC(CC(=O)NCc1noc(-c2ccco2)n1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The InChIKey is CWOASRIRAPGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-11(23-18(25)12-5-2-3-6-13(12)19(23)26)9-16(24)20-10-15-21-17(28-22-15)14-7-4-8-27-14/h2-8,11H,9-10H2,1H3,(H,20,24).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide has a molecular weight of 380.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide is sourced from PubChem (CID 50755881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).