3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole

C18H16Cl2N2O2 — CID 3903686

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)cc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C18H16Cl2N2O2/c1-11-5-12(2)7-15(6-11)23-10-18-21-17(22-24-18)8-13-3-4-14(19)9-16(13)20/h3-7,9H,8,10H2,1-2H3
InChIKeyHQTLVJZSNYOPRR-UHFFFAOYSA-N
MW363.24 g/mol
LogP5.16
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole

3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 3903686) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID3903686
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)cc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C18H16Cl2N2O2/c1-11-5-12(2)7-15(6-11)23-10-18-21-17(22-24-18)8-13-3-4-14(19)9-16(13)20/h3-7,9H,8,10H2,1-2H3
InChIKeyHQTLVJZSNYOPRR-UHFFFAOYSA-N
XLogP5.16
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 9137901
2-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 62328475
3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43452580
6-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43452603
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82688930
5-[(4-bromo-3-methylphenoxy)methyl]-3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 1348356
1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346765
3-[(4-chlorophenyl)methyl]-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 876420
5-[(3,5-dimethylphenoxy)methyl]-3-(4-iodophenyl)-1,2,4-oxadiazole
CID 1252381
3-[(2,4-dichlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62594490
(1S)-1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900000

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole (CID 3903686) is 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole is Cc1cc(C)cc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is HQTLVJZSNYOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-11-5-12(2)7-15(6-11)23-10-18-21-17(22-24-18)8-13-3-4-14(19)9-16(13)20/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 363.24 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 3903686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).