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

C17H14FN3O3 — CID 136528039

IUPAC5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1cccc(-c2nnc(C)o2)c1
InChIInChI=1S/C17H14FN3O3/c1-10-20-21-17(24-10)11-4-3-5-13(8-11)19-16(22)14-9-12(18)6-7-15(14)23-2/h3-9H,1-2H3,(H,19,22)
InChIKeyGYNUTXXIRZSPCM-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.45
Rot. Bonds4

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

5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 136528039) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID136528039
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1cccc(-c2nnc(C)o2)c1
InChIInChI=1S/C17H14FN3O3/c1-10-20-21-17(24-10)11-4-3-5-13(8-11)19-16(22)14-9-12(18)6-7-15(14)23-2/h3-9H,1-2H3,(H,19,22)
InChIKeyGYNUTXXIRZSPCM-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 136528039) is 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is COc1ccc(F)cc1C(=O)Nc1cccc(-c2nnc(C)o2)c1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is GYNUTXXIRZSPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10-20-21-17(24-10)11-4-3-5-13(8-11)19-16(22)14-9-12(18)6-7-15(14)23-2/h3-9H,1-2H3,(H,19,22).
What are the key properties of 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 327.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 136528039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).