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

C16H13FN4O3S — CID 39213063

IUPAC2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1F
InChIInChI=1S/C16H13FN4O3S/c17-12-2-1-10(7-11(12)15(18)23)19-13(22)3-4-14-20-16(21-24-14)9-5-6-25-8-9/h1-2,5-8H,3-4H2,(H2,18,23)(H,19,22)
InChIKeyQJZPCCMOMUJXJE-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.61
Rot. Bonds6

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

2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 39213063) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID39213063
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1F
InChIInChI=1S/C16H13FN4O3S/c17-12-2-1-10(7-11(12)15(18)23)19-13(22)3-4-14-20-16(21-24-14)9-5-6-25-8-9/h1-2,5-8H,3-4H2,(H2,18,23)(H,19,22)
InChIKeyQJZPCCMOMUJXJE-UHFFFAOYSA-N
XLogP2.61
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 39213063) is 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is NC(=O)c1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1F.
What is the InChIKey of 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is QJZPCCMOMUJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-12-2-1-10(7-11(12)15(18)23)19-13(22)3-4-14-20-16(21-24-14)9-5-6-25-8-9/h1-2,5-8H,3-4H2,(H2,18,23)(H,19,22).
What are the key properties of 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 360.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 39213063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).