2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide

C18H18FN3O2S — CID 9144215

IUPAC2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
SMILESO=C(NCCCCCc1nc(-c2cccs2)no1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2S/c19-14-8-4-3-7-13(14)18(23)20-11-5-1-2-10-16-21-17(22-24-16)15-9-6-12-25-15/h3-4,6-9,12H,1-2,5,10-11H2,(H,20,23)
InChIKeyDARJSLNNFBEAFF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.08
Rot. Bonds8

About 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide

2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide (PubChem CID 9144215) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
PubChem CID9144215
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
SMILESO=C(NCCCCCc1nc(-c2cccs2)no1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2S/c19-14-8-4-3-7-13(14)18(23)20-11-5-1-2-10-16-21-17(22-24-16)15-9-6-12-25-15/h3-4,6-9,12H,1-2,5,10-11H2,(H,20,23)
InChIKeyDARJSLNNFBEAFF-UHFFFAOYSA-N
XLogP4.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide (CID 9144215) is 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide is O=C(NCCCCCc1nc(-c2cccs2)no1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
The InChIKey is DARJSLNNFBEAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-8-4-3-7-13(14)18(23)20-11-5-1-2-10-16-21-17(22-24-16)15-9-6-12-25-15/h3-4,6-9,12H,1-2,5,10-11H2,(H,20,23).
What are the key properties of 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide is sourced from PubChem (CID 9144215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).