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

C18H17N3O4 — CID 1252416

IUPAC3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKYYJFXPJGCKKBT-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.68
Rot. Bonds6

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

3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 1252416) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID1252416
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKYYJFXPJGCKKBT-UHFFFAOYSA-N
XLogP2.68
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 1252416) is 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is KYYJFXPJGCKKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 1252416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).