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

C17H21FN4O2 — CID 86782983

IUPAC1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1noc(CN2CCN(CCC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-13-19-17(24-20-13)12-22-10-8-21(9-11-22)7-6-16(23)14-2-4-15(18)5-3-14/h2-5H,6-12H2,1H3
InChIKeyWMRVKMPABLSJOQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.91
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 86782983) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID86782983
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1noc(CN2CCN(CCC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-13-19-17(24-20-13)12-22-10-8-21(9-11-22)7-6-16(23)14-2-4-15(18)5-3-14/h2-5H,6-12H2,1H3
InChIKeyWMRVKMPABLSJOQ-UHFFFAOYSA-N
XLogP1.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one (CID 86782983) is 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one is Cc1noc(CN2CCN(CCC(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is WMRVKMPABLSJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-13-19-17(24-20-13)12-22-10-8-21(9-11-22)7-6-16(23)14-2-4-15(18)5-3-14/h2-5H,6-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 332.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86782983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).