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

C14H8Cl2N2O — CID 17370674

IUPAC5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C14H8Cl2N2O/c15-11-6-4-9(5-7-11)13-17-14(19-18-13)10-2-1-3-12(16)8-10/h1-8H
InChIKeyBXFXPRMSLZQUKQ-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.71
Rot. Bonds2

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

5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 17370674) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
PubChem CID17370674
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C14H8Cl2N2O/c15-11-6-4-9(5-7-11)13-17-14(19-18-13)10-2-1-3-12(16)8-10/h1-8H
InChIKeyBXFXPRMSLZQUKQ-UHFFFAOYSA-N
XLogP4.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
3-tert-butyl-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 143176683
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (CID 17370674) is 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is BXFXPRMSLZQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-6-4-9(5-7-11)13-17-14(19-18-13)10-2-1-3-12(16)8-10/h1-8H.
What are the key properties of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 291.14 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 17370674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).