4-(4-methyl-2-pyridinyl)oxadiazole

C8H7N3O — CID 139385935

IUPAC4-(4-methyl-2-pyridinyl)oxadiazole
SMILESCc1ccnc(-c2conn2)c1
InChIInChI=1S/C8H7N3O/c1-6-2-3-9-7(4-6)8-5-12-11-10-8/h2-5H,1H3
InChIKeyCUJHXDGOBDHFOQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.44
Rot. Bonds1

About 4-(4-methyl-2-pyridinyl)oxadiazole

4-(4-methyl-2-pyridinyl)oxadiazole (PubChem CID 139385935) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)oxadiazole.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)oxadiazole
PubChem CID139385935
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-(4-methyl-2-pyridinyl)oxadiazole
SMILESCc1ccnc(-c2conn2)c1
InChIInChI=1S/C8H7N3O/c1-6-2-3-9-7(4-6)8-5-12-11-10-8/h2-5H,1H3
InChIKeyCUJHXDGOBDHFOQ-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

Pyridyl-oxadiazole
CID 20161218
4-[4-(Trifluoromethyl)pyridin-3-yl]oxadiazole
CID 56991896
4-(4-Fluorophenyl)-5-(4-pyridin-2-ylbut-3-ynyl)oxadiazole
CID 142776942
Oxadiazolyl hydrazinylpyridinium bromide
CID 134820616
4-[2-(Trifluoromethyl)pyridin-3-yl]oxadiazole
CID 152604077
4-Pyridin-3-yloxadiazole
CID 18516068
4-(5,6,7,8-Tetrahydro-1,6-naphthyridin-3-yl)oxadiazole
CID 57046306
4-(1,6-Naphthyridin-3-yl)oxadiazole
CID 57297143
4-(2H-isoindol-1-yl)oxadiazole
CID 57453680
4-[5-(Oxadiazol-4-yl)-2-pyridinyl]oxadiazole
CID 67801372
4-Pyridin-4-yloxadiazole
CID 67958919
4-(3-Isothiocyanato-5-pyridin-2-ylphenyl)oxadiazole
CID 88831317

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)oxadiazole?
The IUPAC name of 4-(4-methyl-2-pyridinyl)oxadiazole (CID 139385935) is 4-(4-methyl-2-pyridinyl)oxadiazole.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)oxadiazole?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)oxadiazole is Cc1ccnc(-c2conn2)c1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)oxadiazole?
The InChIKey is CUJHXDGOBDHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-2-3-9-7(4-6)8-5-12-11-10-8/h2-5H,1H3.
What are the key properties of 4-(4-methyl-2-pyridinyl)oxadiazole?
4-(4-methyl-2-pyridinyl)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 4-(4-methyl-2-pyridinyl)oxadiazole is sourced from PubChem (CID 139385935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).