5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole

C17H17N3O2 — CID 166213332

IUPAC5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C17H17N3O2/c1-21-11-10-17(8-9-17)16-19-15(20-22-16)14-7-6-12-4-2-3-5-13(12)18-14/h2-7H,8-11H2,1H3
InChIKeyQGMUQQOTPSZYMO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.35
Rot. Bonds5

About 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole

5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole (PubChem CID 166213332) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole
PubChem CID166213332
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C17H17N3O2/c1-21-11-10-17(8-9-17)16-19-15(20-22-16)14-7-6-12-4-2-3-5-13(12)18-14/h2-7H,8-11H2,1H3
InChIKeyQGMUQQOTPSZYMO-UHFFFAOYSA-N
XLogP3.35
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole (CID 166213332) is 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole is COCCC1(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole?
The InChIKey is QGMUQQOTPSZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-11-10-17(8-9-17)16-19-15(20-22-16)14-7-6-12-4-2-3-5-13(12)18-14/h2-7H,8-11H2,1H3.
What are the key properties of 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole?
5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166213332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).