N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide

C20H15ClN4O4S — CID 55934136

IUPACN-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN4O4S/c21-13-3-4-14(15(10-13)23-19(27)16-2-1-8-28-16)22-17(26)5-6-18-24-25-20(29-18)12-7-9-30-11-12/h1-4,7-11H,5-6H2,(H,22,26)(H,23,27)
InChIKeyDIAFKFUBEXIYNA-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.87
Rot. Bonds7

About N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 55934136) has the molecular formula C20H15ClN4O4S and a molecular weight of 442.88 g/mol. Its IUPAC name is N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID55934136
Molecular FormulaC20H15ClN4O4S
Molecular Weight442.88 g/mol
Exact Mass442.05
IUPAC NameN-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN4O4S/c21-13-3-4-14(15(10-13)23-19(27)16-2-1-8-28-16)22-17(26)5-6-18-24-25-20(29-18)12-7-9-30-11-12/h1-4,7-11H,5-6H2,(H,22,26)(H,23,27)
InChIKeyDIAFKFUBEXIYNA-UHFFFAOYSA-N
XLogP4.87
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide 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-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38019003
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 45206760
N-(3-chlorophenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162006
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
N-[2-(4-chlorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162041
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 25475323
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-[5-chloro-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 86944385
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55672045
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide (CID 55934136) is N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide is O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is DIAFKFUBEXIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4S/c21-13-3-4-14(15(10-13)23-19(27)16-2-1-8-28-16)22-17(26)5-6-18-24-25-20(29-18)12-7-9-30-11-12/h1-4,7-11H,5-6H2,(H,22,26)(H,23,27).
What are the key properties of N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 442.88 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55934136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).