5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C16H12Cl2N2O2 — CID 926658

IUPAC5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-4-2-3-5-12(10)16-19-15(22-20-16)9-21-14-7-6-11(17)8-13(14)18/h2-8H,9H2,1H3
InChIKeyICIPTHFZQGUYPK-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.93
Rot. Bonds4

About 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 926658) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID926658
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-4-2-3-5-12(10)16-19-15(22-20-16)9-21-14-7-6-11(17)8-13(14)18/h2-8H,9H2,1H3
InChIKeyICIPTHFZQGUYPK-UHFFFAOYSA-N
XLogP4.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 17325291
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[(4-bromo-2-chlorophenoxy)methyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 131697646
5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7894242
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
5-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 973552
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 987928
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 926658) is 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ICIPTHFZQGUYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10-4-2-3-5-12(10)16-19-15(22-20-16)9-21-14-7-6-11(17)8-13(14)18/h2-8H,9H2,1H3.
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 335.19 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 926658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).