[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate

C19H20N4O4S — CID 56528840

IUPAC[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCCCNC(=O)Nc1cccc(OC(=O)CCc2nnc(-c3ccsc3)o2)c1
InChIInChI=1S/C19H20N4O4S/c1-2-9-20-19(25)21-14-4-3-5-15(11-14)26-17(24)7-6-16-22-23-18(27-16)13-8-10-28-12-13/h3-5,8,10-12H,2,6-7,9H2,1H3,(H2,20,21,25)
InChIKeyYZKQBTRTVMRQOH-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.87
Rot. Bonds8

About [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate

[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 56528840) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Name[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID56528840
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCCCNC(=O)Nc1cccc(OC(=O)CCc2nnc(-c3ccsc3)o2)c1
InChIInChI=1S/C19H20N4O4S/c1-2-9-20-19(25)21-14-4-3-5-15(11-14)26-17(24)7-6-16-22-23-18(27-16)13-8-10-28-12-13/h3-5,8,10-12H,2,6-7,9H2,1H3,(H2,20,21,25)
InChIKeyYZKQBTRTVMRQOH-UHFFFAOYSA-N
XLogP3.87
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(benzylcarbamoyl)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 55549622
1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 48909568
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38022358
[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 167918274
N-(3-chlorophenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162006
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886389
N-(3,4-dimethylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161999
N-(4-methoxy-2-pyridinyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75434520
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55804811
(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 34485693
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116

Frequently Asked Questions

What is the IUPAC name of [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate (CID 56528840) is [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate is CCCNC(=O)Nc1cccc(OC(=O)CCc2nnc(-c3ccsc3)o2)c1.
What is the InChIKey of [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is YZKQBTRTVMRQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-9-20-19(25)21-14-4-3-5-15(11-14)26-17(24)7-6-16-22-23-18(27-16)13-8-10-28-12-13/h3-5,8,10-12H,2,6-7,9H2,1H3,(H2,20,21,25).
What are the key properties of [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 400.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 56528840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).