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

C15H13N3O — CID 912581

IUPAC5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C15H13N3O/c1-10-7-11(2)9-13(8-10)15-17-14(18-19-15)12-3-5-16-6-4-12/h3-9H,1-2H3
InChIKeyITLHDBTVPBSEPI-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.42
Rot. Bonds2

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

5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 912581) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID912581
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C15H13N3O/c1-10-7-11(2)9-13(8-10)15-17-14(18-19-15)12-3-5-16-6-4-12/h3-9H,1-2H3
InChIKeyITLHDBTVPBSEPI-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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Related Compounds

CID 65758
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CID 9838729
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CID 9879103
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CID 650707
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CID 9816778
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CID 10198810
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CID 2875918
CID 2875918
CID 11998180
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CID 763882
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CID 763855
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CID 867096
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CID 577830
CID 577830

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 912581) is 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is ITLHDBTVPBSEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-7-11(2)9-13(8-10)15-17-14(18-19-15)12-3-5-16-6-4-12/h3-9H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-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 5-(3,5-dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 912581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).