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

C15H12N4O2 — CID 3397365

IUPAC3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C15H12N4O2/c1-10-3-2-4-12(9-10)13(20)17-15-19-18-14(21-15)11-5-7-16-8-6-11/h2-9H,1H3,(H,17,19,20)
InChIKeyFZNDNETZKHRPRS-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.69
Rot. Bonds3

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

3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3397365) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3397365
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C15H12N4O2/c1-10-3-2-4-12(9-10)13(20)17-15-19-18-14(21-15)11-5-7-16-8-6-11/h2-9H,1H3,(H,17,19,20)
InChIKeyFZNDNETZKHRPRS-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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Related Compounds

1,3,4-Oxadiazole, 2-amino-5-(4-pyridyl)-
CID 12804
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
N-(4-tert-butylphenyl)-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644873
N-[4-(propan-2-yl)phenyl]-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644874
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644882
2-chloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4058147
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4226990
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamide
CID 1246952
N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
CID 71578658
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3397365) is 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide is Cc1cccc(C(=O)Nc2nnc(-c3ccncc3)o2)c1.
What is the InChIKey of 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is FZNDNETZKHRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-3-2-4-12(9-10)13(20)17-15-19-18-14(21-15)11-5-7-16-8-6-11/h2-9H,1H3,(H,17,19,20).
What are the key properties of 3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-methyl-N-(5-pyridin-4-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-4-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3397365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).