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

C15H20F2N4O2 — CID 136570263

IUPAC3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCOC(c1noc(Cn2ccc(C(F)F)n2)n1)C1CCCC1
InChIInChI=1S/C15H20F2N4O2/c1-2-22-13(10-5-3-4-6-10)15-18-12(23-20-15)9-21-8-7-11(19-21)14(16)17/h7-8,10,13-14H,2-6,9H2,1H3
InChIKeyZZCGQILTJOZYHU-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.52
Rot. Bonds7

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

3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 136570263) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID136570263
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCOC(c1noc(Cn2ccc(C(F)F)n2)n1)C1CCCC1
InChIInChI=1S/C15H20F2N4O2/c1-2-22-13(10-5-3-4-6-10)15-18-12(23-20-15)9-21-8-7-11(19-21)14(16)17/h7-8,10,13-14H,2-6,9H2,1H3
InChIKeyZZCGQILTJOZYHU-UHFFFAOYSA-N
XLogP3.52
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-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 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole (CID 136570263) is 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole is CCOC(c1noc(Cn2ccc(C(F)F)n2)n1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZZCGQILTJOZYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-2-22-13(10-5-3-4-6-10)15-18-12(23-20-15)9-21-8-7-11(19-21)14(16)17/h7-8,10,13-14H,2-6,9H2,1H3.
What are the key properties of 3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
3-[cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 326.35 g/mol, XLogP of 3.52, 7 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-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136570263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).