3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

C16H14N4O4 — CID 4690359

IUPAC3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C16H14N4O4/c1-22-12-6-11(7-13(8-12)23-2)14(21)18-16-20-19-15(24-16)10-4-3-5-17-9-10/h3-9H,1-2H3,(H,18,20,21)
InChIKeyQOBMIQSMYBPAIM-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.40
Rot. Bonds5

About 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4690359) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4690359
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C16H14N4O4/c1-22-12-6-11(7-13(8-12)23-2)14(21)18-16-20-19-15(24-16)10-4-3-5-17-9-10/h3-9H,1-2H3,(H,18,20,21)
InChIKeyQOBMIQSMYBPAIM-UHFFFAOYSA-N
XLogP2.40
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4690359) is 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QOBMIQSMYBPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-22-12-6-11(7-13(8-12)23-2)14(21)18-16-20-19-15(24-16)10-4-3-5-17-9-10/h3-9H,1-2H3,(H,18,20,21).
What are the key properties of 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 326.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4690359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).