5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide

C15H12FN3O2S — CID 83278411

IUPAC5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)15-18-13(19-21-15)14(20)17-8-7-12-2-1-9-22-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeyWNVANXZZAXWELQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.91
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide

5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83278411) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID83278411
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)15-18-13(19-21-15)14(20)17-8-7-12-2-1-9-22-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeyWNVANXZZAXWELQ-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide (CID 83278411) is 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide is O=C(NCCc1cccs1)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WNVANXZZAXWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)15-18-13(19-21-15)14(20)17-8-7-12-2-1-9-22-12/h1-6,9H,7-8H2,(H,17,20).
What are the key properties of 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-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 5-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83278411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).