1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

C20H27FN4O3 — CID 78877280

IUPAC1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCCCc1noc(C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H27FN4O3/c1-3-4-5-18-22-20(28-23-18)15(2)24-10-12-25(13-11-24)19(26)14-27-17-8-6-16(21)7-9-17/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyCTPUMYLOBSBFGM-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.84
Rot. Bonds8

About 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 78877280) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID78877280
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCCCc1noc(C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H27FN4O3/c1-3-4-5-18-22-20(28-23-18)15(2)24-10-12-25(13-11-24)19(26)14-27-17-8-6-16(21)7-9-17/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyCTPUMYLOBSBFGM-UHFFFAOYSA-N
XLogP2.84
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
CID 94028365
2-(4-bromophenoxy)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 46402988
4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 95623041
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78896191
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849039
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55916283
2-naphthalen-2-yloxy-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 46402909
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 51113077
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 78877280) is 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is CCCCc1noc(C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is CTPUMYLOBSBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-3-4-5-18-22-20(28-23-18)15(2)24-10-12-25(13-11-24)19(26)14-27-17-8-6-16(21)7-9-17/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 390.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 78877280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).