5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole

C16H20FN3O — CID 114429886

IUPAC5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C16H20FN3O/c1-2-11-7-8-18-14(9-11)16-19-15(20-21-16)10-12-5-3-4-6-13(12)17/h3-6,11,14,18H,2,7-10H2,1H3
InChIKeyQLRFLKYCKKMTDT-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.25
Rot. Bonds4

About 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole

5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 114429886) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID114429886
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C16H20FN3O/c1-2-11-7-8-18-14(9-11)16-19-15(20-21-16)10-12-5-3-4-6-13(12)17/h3-6,11,14,18H,2,7-10H2,1H3
InChIKeyQLRFLKYCKKMTDT-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)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

Related Compounds

3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 112754183
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
5-(4-ethylpiperidin-2-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472669
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
5-(4-ethylpiperidin-2-yl)-3-(oxan-2-ylmethyl)-1,2,4-oxadiazole
CID 114429992
5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
3-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424827
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107923388
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
5-piperidin-2-yl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080825
3-[(3-fluorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424846

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 114429886) is 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is CCC1CCNC(c2nc(Cc3ccccc3F)no2)C1.
What is the InChIKey of 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is QLRFLKYCKKMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-11-7-8-18-14(9-11)16-19-15(20-21-16)10-12-5-3-4-6-13(12)17/h3-6,11,14,18H,2,7-10H2,1H3.
What are the key properties of 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 289.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 114429886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).