4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide

C17H16N4O4S — CID 55783038

IUPAC4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C17H16N4O4S/c1-24-13-3-2-10(16(18)23)8-12(13)19-14(22)4-5-15-20-21-17(25-15)11-6-7-26-9-11/h2-3,6-9H,4-5H2,1H3,(H2,18,23)(H,19,22)
InChIKeyNFMRTYLRLWAZKF-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.48
Rot. Bonds7

About 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide

4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide (PubChem CID 55783038) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
PubChem CID55783038
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C17H16N4O4S/c1-24-13-3-2-10(16(18)23)8-12(13)19-14(22)4-5-15-20-21-17(25-15)11-6-7-26-9-11/h2-3,6-9H,4-5H2,1H3,(H2,18,23)(H,19,22)
InChIKeyNFMRTYLRLWAZKF-UHFFFAOYSA-N
XLogP2.48
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide 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-(4-methoxy-2-pyridinyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75434520
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate
CID 55915985
N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334072
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38019003
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55672045
N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75428625
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38087106
N-(5-chloro-2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334804

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The IUPAC name of 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide (CID 55783038) is 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The InChIKey is NFMRTYLRLWAZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-24-13-3-2-10(16(18)23)8-12(13)19-14(22)4-5-15-20-21-17(25-15)11-6-7-26-9-11/h2-3,6-9H,4-5H2,1H3,(H2,18,23)(H,19,22).
What are the key properties of 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide has a molecular weight of 372.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 55783038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).