2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole

C8H7N3O — CID 5052252

IUPAC2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C8H7N3O/c1-6-10-11-8(12-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKeyZYWNECMDWDRYRS-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.44
Rot. Bonds1

About 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole

2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 5052252) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID5052252
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C8H7N3O/c1-6-10-11-8(12-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKeyZYWNECMDWDRYRS-UHFFFAOYSA-N
XLogP1.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 99962927
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 21031007
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 14244613
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
CID 3219549
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 24776451
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole (CID 5052252) is 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is ZYWNECMDWDRYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-10-11-8(12-6)7-3-2-4-9-5-7/h2-5H,1H3.
What are the key properties of 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole?
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 161.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 5052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).