1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one

C18H23FN4O2 — CID 42691842

IUPAC1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H23FN4O2/c1-13(2)11-17(24)23-9-7-22(8-10-23)12-16-20-18(25-21-16)14-3-5-15(19)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyCGXMVOUCNXRNRY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one

1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 42691842) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID42691842
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H23FN4O2/c1-13(2)11-17(24)23-9-7-22(8-10-23)12-16-20-18(25-21-16)14-3-5-15(19)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyCGXMVOUCNXRNRY-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one 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

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
Adx 47273
CID 11383075
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]amino}pentanamide
CID 23648306
{3-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-m-tolyl-methanone
CID 3225896
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
[4-[3-(Diethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523979
Icanbelimod
CID 117972004
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
1-(4-Fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]piperidine
CID 3602027

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one (CID 42691842) is 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is CGXMVOUCNXRNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(2)11-17(24)23-9-7-22(8-10-23)12-16-20-18(25-21-16)14-3-5-15(19)6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 346.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 42691842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).