2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole

C15H13N3O — CID 25054875

IUPAC2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C15H13N3O/c1-10-6-11(2)8-13(7-10)15-18-17-14(19-15)12-4-3-5-16-9-12/h3-9H,1-2H3
InChIKeyPAMQJMVQIBETAI-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.42
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole

2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 25054875) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID25054875
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C15H13N3O/c1-10-6-11(2)8-13(7-10)15-18-17-14(19-15)12-4-3-5-16-9-12/h3-9H,1-2H3
InChIKeyPAMQJMVQIBETAI-UHFFFAOYSA-N
XLogP3.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 25054875) is 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1cc(C)cc(-c2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is PAMQJMVQIBETAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-11(2)8-13(7-10)15-18-17-14(19-15)12-4-3-5-16-9-12/h3-9H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 25054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).