propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate

C19H19N3O5 — CID 36801497

IUPACpropyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C19H19N3O5/c1-2-11-26-19(24)13-5-7-14(8-6-13)20-16(23)9-10-17-21-18(22-27-17)15-4-3-12-25-15/h3-8,12H,2,9-11H2,1H3,(H,20,23)
InChIKeyLICWOQZJMJEQSW-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.47
Rot. Bonds8

About propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate

propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate (PubChem CID 36801497) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
PubChem CID36801497
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namepropyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C19H19N3O5/c1-2-11-26-19(24)13-5-7-14(8-6-13)20-16(23)9-10-17-21-18(22-27-17)15-4-3-12-25-15/h3-8,12H,2,9-11H2,1H3,(H,20,23)
InChIKeyLICWOQZJMJEQSW-UHFFFAOYSA-N
XLogP3.47
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
propyl 4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate
CID 38908772
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 36862559
ethyl 4-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 666398
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886585
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553285
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 36744455
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686

Frequently Asked Questions

What is the IUPAC name of propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
The IUPAC name of propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate (CID 36801497) is propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
The canonical SMILES for propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1.
What is the InChIKey of propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
The InChIKey is LICWOQZJMJEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-2-11-26-19(24)13-5-7-14(8-6-13)20-16(23)9-10-17-21-18(22-27-17)15-4-3-12-25-15/h3-8,12H,2,9-11H2,1H3,(H,20,23).
What are the key properties of propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate has a molecular weight of 369.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate is sourced from PubChem (CID 36801497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).