N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide

C15H12FN3O2S — CID 83289766

IUPACN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(F)cc2)no1)c1cccs1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)14-18-13(21-19-14)7-8-17-15(20)12-2-1-9-22-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeyYBQTWGFIIRNBQY-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 83289766) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
PubChem CID83289766
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(F)cc2)no1)c1cccs1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)14-18-13(21-19-14)7-8-17-15(20)12-2-1-9-22-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeyYBQTWGFIIRNBQY-UHFFFAOYSA-N
XLogP2.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide (CID 83289766) is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1nc(-c2ccc(F)cc2)no1)c1cccs1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is YBQTWGFIIRNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)14-18-13(21-19-14)7-8-17-15(20)12-2-1-9-22-12/h1-6,9H,7-8H2,(H,17,20).
What are the key properties of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide?
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 83289766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).