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

C16H19FN4O2 — CID 36877918

IUPAC[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nnc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-2-14-18-19-15(23-14)11-20-7-9-21(10-8-20)16(22)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeySMEAWSMZZQZFIC-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.73
Rot. Bonds4

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

[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 36877918) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID36877918
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nnc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-2-14-18-19-15(23-14)11-20-7-9-21(10-8-20)16(22)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeySMEAWSMZZQZFIC-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 36877918) is [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is CCc1nnc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is SMEAWSMZZQZFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-2-14-18-19-15(23-14)11-20-7-9-21(10-8-20)16(22)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 318.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 36877918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).