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

C17H19FN4O3 — CID 110611215

IUPAC1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C17H19FN4O3/c1-12-19-16(20-25-12)10-17(24)22-8-6-21(7-9-22)11-15(23)13-2-4-14(18)5-3-13/h2-5H,6-11H2,1H3
InChIKeyMNLLGTVKAGNQQZ-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.09
Rot. Bonds5

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

1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 110611215) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID110611215
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C17H19FN4O3/c1-12-19-16(20-25-12)10-17(24)22-8-6-21(7-9-22)11-15(23)13-2-4-14(18)5-3-13/h2-5H,6-11H2,1H3
InChIKeyMNLLGTVKAGNQQZ-UHFFFAOYSA-N
XLogP1.09
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (CID 110611215) is 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is Cc1nc(CC(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)no1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is MNLLGTVKAGNQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-12-19-16(20-25-12)10-17(24)22-8-6-21(7-9-22)11-15(23)13-2-4-14(18)5-3-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 346.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110611215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).