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

C16H12FN3O3 — CID 5221215

IUPAC2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1
InChIInChI=1S/C16H12FN3O3/c1-22-13-9-5-3-7-11(13)15-19-20-16(23-15)18-14(21)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,18,20,21)
InChIKeyXCYGLGUUKXHSIE-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.14
Rot. Bonds4

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

2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 5221215) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID5221215
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1
InChIInChI=1S/C16H12FN3O3/c1-22-13-9-5-3-7-11(13)15-19-20-16(23-15)18-14(21)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,18,20,21)
InChIKeyXCYGLGUUKXHSIE-UHFFFAOYSA-N
XLogP3.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 5221215) is 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is XCYGLGUUKXHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-22-13-9-5-3-7-11(13)15-19-20-16(23-15)18-14(21)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,18,20,21).
What are the key properties of 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 313.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 5221215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).