3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole

C21H22N2O3 — CID 83289457

IUPAC3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3C)n2)ccc1OC1CCCC1
InChIInChI=1S/C21H22N2O3/c1-14-7-3-6-10-17(14)21-22-20(23-26-21)15-11-12-18(19(13-15)24-2)25-16-8-4-5-9-16/h3,6-7,10-13,16H,4-5,8-9H2,1-2H3
InChIKeyBOXGJUHYRSOORU-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.04
Rot. Bonds5

About 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole

3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 83289457) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID83289457
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3C)n2)ccc1OC1CCCC1
InChIInChI=1S/C21H22N2O3/c1-14-7-3-6-10-17(14)21-22-20(23-26-21)15-11-12-18(19(13-15)24-2)25-16-8-4-5-9-16/h3,6-7,10-13,16H,4-5,8-9H2,1-2H3
InChIKeyBOXGJUHYRSOORU-UHFFFAOYSA-N
XLogP5.04
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 83289457) is 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OC1CCCC1.
What is the InChIKey of 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BOXGJUHYRSOORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-7-3-6-10-17(14)21-22-20(23-26-21)15-11-12-18(19(13-15)24-2)25-16-8-4-5-9-16/h3,6-7,10-13,16H,4-5,8-9H2,1-2H3.
What are the key properties of 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83289457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).