[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium

C24H25N4O3+ — CID 9371816

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C24H24N4O3/c1-2-14-28(17-23-26-27-24(31-23)21-13-8-15-30-21)16-22(29)25-20-12-7-6-11-19(20)18-9-4-3-5-10-18/h3-13,15H,2,14,16-17H2,1H3,(H,25,29)/p+1
InChIKeyDGEZCJNUKPNXBY-UHFFFAOYSA-O
MW417.49 g/mol
LogP3.43
Rot. Bonds9

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium (PubChem CID 9371816) has the molecular formula C24H25N4O3+ and a molecular weight of 417.49 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium
PubChem CID9371816
Molecular FormulaC24H25N4O3+
Molecular Weight417.49 g/mol
Exact Mass417.19
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C24H24N4O3/c1-2-14-28(17-23-26-27-24(31-23)21-13-8-15-30-21)16-22(29)25-20-12-7-6-11-19(20)18-9-4-3-5-10-18/h3-13,15H,2,14,16-17H2,1H3,(H,25,29)/p+1
InChIKeyDGEZCJNUKPNXBY-UHFFFAOYSA-O
XLogP3.43
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium with MolForge

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371293
[2-(4-tert-butylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371226
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371748
[2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371324
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371073
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9370633
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371148
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371191
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium
CID 8689630
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 8689619
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104832
[2-(2-nitroanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9374925

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium (CID 9371816) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium?
The InChIKey is DGEZCJNUKPNXBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N4O3/c1-2-14-28(17-23-26-27-24(31-23)21-13-8-15-30-21)16-22(29)25-20-12-7-6-11-19(20)18-9-4-3-5-10-18/h3-13,15H,2,14,16-17H2,1H3,(H,25,29)/p+1.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium has a molecular weight of 417.49 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium is sourced from PubChem (CID 9371816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).