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

C19H20N2O3 — CID 888314

IUPAC5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(COc2cccc(C)c2C)n1
InChIInChI=1S/C19H20N2O3/c1-13-7-6-10-16(14(13)2)23-12-19-20-18(21-24-19)11-15-8-4-5-9-17(15)22-3/h4-10H,11-12H2,1-3H3
InChIKeyQYRKBKSKHGBLSD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.86
Rot. Bonds6

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

5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 888314) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID888314
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(COc2cccc(C)c2C)n1
InChIInChI=1S/C19H20N2O3/c1-13-7-6-10-16(14(13)2)23-12-19-20-18(21-24-19)11-15-8-4-5-9-17(15)22-3/h4-10H,11-12H2,1-3H3
InChIKeyQYRKBKSKHGBLSD-UHFFFAOYSA-N
XLogP3.86
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 888314) is 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccccc1Cc1noc(COc2cccc(C)c2C)n1.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is QYRKBKSKHGBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-7-6-10-16(14(13)2)23-12-19-20-18(21-24-19)11-15-8-4-5-9-17(15)22-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 888314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).