N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide

C15H12N6O3S — CID 119099368

IUPACN-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccco1
InChIInChI=1S/C15H12N6O3S/c22-14(11-3-1-7-23-11)16-5-6-21-9-10(18-20-21)15-17-13(19-24-15)12-4-2-8-25-12/h1-4,7-9H,5-6H2,(H,16,22)
InChIKeyXWHIKTJRYJVMLX-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.08
Rot. Bonds6

About N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide (PubChem CID 119099368) has the molecular formula C15H12N6O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
PubChem CID119099368
Molecular FormulaC15H12N6O3S
Molecular Weight356.37 g/mol
Exact Mass356.07
IUPAC NameN-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccco1
InChIInChI=1S/C15H12N6O3S/c22-14(11-3-1-7-23-11)16-5-6-21-9-10(18-20-21)15-17-13(19-24-15)12-4-2-8-25-12/h1-4,7-9H,5-6H2,(H,16,22)
InChIKeyXWHIKTJRYJVMLX-UHFFFAOYSA-N
XLogP2.08
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]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

3-(3,5-dimethylpyrazol-1-yl)-N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide
CID 119099440
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
CID 91813258
N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 29127652
3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53170046
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
CID 86263615
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 91630312
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 16764750

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide (CID 119099368) is N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide is O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccco1.
What is the InChIKey of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is XWHIKTJRYJVMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3S/c22-14(11-3-1-7-23-11)16-5-6-21-9-10(18-20-21)15-17-13(19-24-15)12-4-2-8-25-12/h1-4,7-9H,5-6H2,(H,16,22).
What are the key properties of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 119099368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).