1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate

C19H19N3O4S — CID 48909568

IUPAC1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCC(=O)Nc1cccc(C(C)OC(=O)CCc2nnc(-c3ccsc3)o2)c1
InChIInChI=1S/C19H19N3O4S/c1-12(14-4-3-5-16(10-14)20-13(2)23)25-18(24)7-6-17-21-22-19(26-17)15-8-9-27-11-15/h3-5,8-12H,6-7H2,1-2H3,(H,20,23)
InChIKeyKYFFVVNAOPEJPQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.99
Rot. Bonds7

About 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate

1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 48909568) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Name1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID48909568
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCC(=O)Nc1cccc(C(C)OC(=O)CCc2nnc(-c3ccsc3)o2)c1
InChIInChI=1S/C19H19N3O4S/c1-12(14-4-3-5-16(10-14)20-13(2)23)25-18(24)7-6-17-21-22-19(26-17)15-8-9-27-11-15/h3-5,8-12H,6-7H2,1-2H3,(H,20,23)
InChIKeyKYFFVVNAOPEJPQ-UHFFFAOYSA-N
XLogP3.99
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-acetamidophenyl)ethyl 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-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 56528840
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38019003
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886389
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38022358
N-(3-chlorophenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162006
1-(3-acetamidophenyl)ethyl 8-oxononanoate
CID 75456297
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273
(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 34485693
2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
CID 119228121

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate (CID 48909568) is 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate is CC(=O)Nc1cccc(C(C)OC(=O)CCc2nnc(-c3ccsc3)o2)c1.
What is the InChIKey of 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is KYFFVVNAOPEJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12(14-4-3-5-16(10-14)20-13(2)23)25-18(24)7-6-17-21-22-19(26-17)15-8-9-27-11-15/h3-5,8-12H,6-7H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 385.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 48909568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).