3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole

C15H12ClN3O — CID 5304183

IUPAC3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)c(-c2noc(-c3ccccc3)n2)c(Cl)n1
InChIInChI=1S/C15H12ClN3O/c1-9-8-10(2)17-13(16)12(9)14-18-15(20-19-14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeySUDHKEVZJUEABG-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.07
Rot. Bonds2

About 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole

3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 5304183) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID5304183
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)c(-c2noc(-c3ccccc3)n2)c(Cl)n1
InChIInChI=1S/C15H12ClN3O/c1-9-8-10(2)17-13(16)12(9)14-18-15(20-19-14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeySUDHKEVZJUEABG-UHFFFAOYSA-N
XLogP4.07
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole (CID 5304183) is 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole is Cc1cc(C)c(-c2noc(-c3ccccc3)n2)c(Cl)n1.
What is the InChIKey of 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is SUDHKEVZJUEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-8-10(2)17-13(16)12(9)14-18-15(20-19-14)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole?
3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 285.73 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethyl-3-pyridinyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 5304183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).