3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole

C18H20N4O2 — CID 136570260

IUPAC3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
SMILESCCOC(c1noc(-c2nncc3ccccc23)n1)C1CCCC1
InChIInChI=1S/C18H20N4O2/c1-2-23-16(12-7-3-4-8-12)17-20-18(24-22-17)15-14-10-6-5-9-13(14)11-19-21-15/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyQEJROSRCIDEBRO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.95
Rot. Bonds5

About 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole

3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole (PubChem CID 136570260) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
PubChem CID136570260
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
SMILESCCOC(c1noc(-c2nncc3ccccc23)n1)C1CCCC1
InChIInChI=1S/C18H20N4O2/c1-2-23-16(12-7-3-4-8-12)17-20-18(24-22-17)15-14-10-6-5-9-13(14)11-19-21-15/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyQEJROSRCIDEBRO-UHFFFAOYSA-N
XLogP3.95
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole (CID 136570260) is 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole is CCOC(c1noc(-c2nncc3ccccc23)n1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
The InChIKey is QEJROSRCIDEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-23-16(12-7-3-4-8-12)17-20-18(24-22-17)15-14-10-6-5-9-13(14)11-19-21-15/h5-6,9-12,16H,2-4,7-8H2,1H3.
What are the key properties of 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 136570260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).