3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

C16H12Cl2N2O — CID 19326469

IUPAC3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c17-12-7-8-13(14(18)10-12)16-19-15(21-20-16)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyFAHCMZVXWZCMBX-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.83
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (PubChem CID 19326469) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
PubChem CID19326469
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c17-12-7-8-13(14(18)10-12)16-19-15(21-20-16)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyFAHCMZVXWZCMBX-UHFFFAOYSA-N
XLogP4.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole
CID 19326477
2-[5-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentyl]isoindole-1,3-dione
CID 19326552
5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19330336
N,N-dibenzyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928205
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
2,4-dichloro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323451
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 62945973
5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326638
5-(2-benzylsulfanylethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 8798150

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (CID 19326469) is 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(CCc3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is FAHCMZVXWZCMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-12-7-8-13(14(18)10-12)16-19-15(21-20-16)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2.
What are the key properties of 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 319.19 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).