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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Related Compounds

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 143793994
3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 42585238
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
2-(3-chlorophenyl)-3-pyridin-2-ylpyridine
CID 90094366
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 59477116
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43152104
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 63652636
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527311

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).