3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C19H12ClN3O — CID 25264646

IUPAC3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3cccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C19H12ClN3O/c20-15-9-4-8-14(12-15)18-22-19(24-23-18)16-10-5-11-21-17(16)13-6-2-1-3-7-13/h1-12H
InChIKeySHYVMUFVVUHTRO-UHFFFAOYSA-N
MW333.78 g/mol
LogP5.12
Rot. Bonds3

About 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 25264646) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID25264646
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3cccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C19H12ClN3O/c20-15-9-4-8-14(12-15)18-22-19(24-23-18)16-10-5-11-21-17(16)13-6-2-1-3-7-13/h1-12H
InChIKeySHYVMUFVVUHTRO-UHFFFAOYSA-N
XLogP5.12
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.78
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 25264646) is 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole is Clc1cccc(-c2noc(-c3cccnc3-c3ccccc3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is SHYVMUFVVUHTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-15-9-4-8-14(12-15)18-22-19(24-23-18)16-10-5-11-21-17(16)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 333.78 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25264646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).