2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H10FN3O3S — CID 162506141

IUPAC2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)c(F)c1
InChIInChI=1S/C14H10FN3O3S/c1-20-8-4-5-9(10(15)7-8)12(19)16-14-18-17-13(21-14)11-3-2-6-22-11/h2-7H,1H3,(H,16,18,19)
InChIKeyZUXWNHDGUFRENY-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.20
Rot. Bonds4

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

2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 162506141) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID162506141
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC Name2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)c(F)c1
InChIInChI=1S/C14H10FN3O3S/c1-20-8-4-5-9(10(15)7-8)12(19)16-14-18-17-13(21-14)11-3-2-6-22-11/h2-7H,1H3,(H,16,18,19)
InChIKeyZUXWNHDGUFRENY-UHFFFAOYSA-N
XLogP3.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 162506141) is 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ZUXWNHDGUFRENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c1-20-8-4-5-9(10(15)7-8)12(19)16-14-18-17-13(21-14)11-3-2-6-22-11/h2-7H,1H3,(H,16,18,19).
What are the key properties of 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 319.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 162506141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).