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

C16H19FN4O2 — CID 38136380

IUPAC2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-12-18-19-15(23-12)11-20-6-8-21(9-7-20)16(22)10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3
InChIKeyBWPSNFZRHHNHHT-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.40
Rot. Bonds4

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

2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 38136380) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID38136380
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-12-18-19-15(23-12)11-20-6-8-21(9-7-20)16(22)10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3
InChIKeyBWPSNFZRHHNHHT-UHFFFAOYSA-N
XLogP1.40
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 38136380) is 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone is Cc1nnc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is BWPSNFZRHHNHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-12-18-19-15(23-12)11-20-6-8-21(9-7-20)16(22)10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 318.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 38136380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).