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

C15H12N4O2 — CID 4645483

IUPAC3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C15H12N4O2/c1-10-4-2-5-11(8-10)13(20)17-15-19-18-14(21-15)12-6-3-7-16-9-12/h2-9H,1H3,(H,17,19,20)
InChIKeyQSBCIBKJPZZUFO-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.69
Rot. Bonds3

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

3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4645483) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4645483
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C15H12N4O2/c1-10-4-2-5-11(8-10)13(20)17-15-19-18-14(21-15)12-6-3-7-16-9-12/h2-9H,1H3,(H,17,19,20)
InChIKeyQSBCIBKJPZZUFO-UHFFFAOYSA-N
XLogP2.69
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4645483) is 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is Cc1cccc(C(=O)Nc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QSBCIBKJPZZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-4-2-5-11(8-10)13(20)17-15-19-18-14(21-15)12-6-3-7-16-9-12/h2-9H,1H3,(H,17,19,20).
What are the key properties of 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 280.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4645483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).