4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C17H22FN5O2 — CID 56788101

IUPAC4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1noc(C(C)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H22FN5O2/c1-3-15-20-16(25-21-15)12(2)22-8-10-23(11-9-22)17(24)19-14-6-4-13(18)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)
InChIKeyKYAAHTUOSVRGIC-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.68
Rot. Bonds4

About 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 56788101) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID56788101
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1noc(C(C)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H22FN5O2/c1-3-15-20-16(25-21-15)12(2)22-8-10-23(11-9-22)17(24)19-14-6-4-13(18)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)
InChIKeyKYAAHTUOSVRGIC-UHFFFAOYSA-N
XLogP2.68
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 56788101) is 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is CCc1noc(C(C)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is KYAAHTUOSVRGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-3-15-20-16(25-21-15)12(2)22-8-10-23(11-9-22)17(24)19-14-6-4-13(18)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,24).
What are the key properties of 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56788101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).