methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate

C19H18N4O5S — CID 55848093

IUPACmethyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C19H18N4O5S/c1-27-17(25)10-20-19(26)12-3-2-4-14(9-12)21-15(24)5-6-16-22-18(23-28-16)13-7-8-29-11-13/h2-4,7-9,11H,5-6,10H2,1H3,(H,20,26)(H,21,24)
InChIKeySRVNPHRJRVOYBC-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.27
Rot. Bonds8

About methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate

methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate (PubChem CID 55848093) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
PubChem CID55848093
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Namemethyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C19H18N4O5S/c1-27-17(25)10-20-19(26)12-3-2-4-14(9-12)21-15(24)5-6-16-22-18(23-28-16)13-7-8-29-11-13/h2-4,7-9,11H,5-6,10H2,1H3,(H,20,26)(H,21,24)
InChIKeySRVNPHRJRVOYBC-UHFFFAOYSA-N
XLogP2.27
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate 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

N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55783491
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748698
N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 26688697
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
CID 55693673
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38613806
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate (CID 55848093) is methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1.
What is the InChIKey of methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate?
The InChIKey is SRVNPHRJRVOYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-27-17(25)10-20-19(26)12-3-2-4-14(9-12)21-15(24)5-6-16-22-18(23-28-16)13-7-8-29-11-13/h2-4,7-9,11H,5-6,10H2,1H3,(H,20,26)(H,21,24).
What are the key properties of methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate?
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate has a molecular weight of 414.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate is sourced from PubChem (CID 55848093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).