5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C15H13N3O — CID 2195520

IUPAC5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(Cc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-11-5-7-12(8-6-11)10-14-17-15(18-19-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKeyYJVUAAJRRSJRRU-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.03
Rot. Bonds3

About 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2195520) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2195520
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(Cc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-11-5-7-12(8-6-11)10-14-17-15(18-19-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKeyYJVUAAJRRSJRRU-UHFFFAOYSA-N
XLogP3.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2195520) is 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(Cc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is YJVUAAJRRSJRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-5-7-12(8-6-11)10-14-17-15(18-19-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2195520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).