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

C14H18FN5O — CID 106969607

IUPAC2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C14H18FN5O/c15-11-3-1-2-4-12(11)19-7-9-20(10-8-19)14-18-17-13(21-14)5-6-16/h1-4H,5-10,16H2
InChIKeyAFXJLXHKHGNAID-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.04
Rot. Bonds4

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

2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106969607) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106969607
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C14H18FN5O/c15-11-3-1-2-4-12(11)19-7-9-20(10-8-19)14-18-17-13(21-14)5-6-16/h1-4H,5-10,16H2
InChIKeyAFXJLXHKHGNAID-UHFFFAOYSA-N
XLogP1.04
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106966850
2-[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968372
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333844
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960391
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33177843
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166825
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone
CID 53162137

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 106969607) is 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(N2CCN(c3ccccc3F)CC2)o1.
What is the InChIKey of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is AFXJLXHKHGNAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c15-11-3-1-2-4-12(11)19-7-9-20(10-8-19)14-18-17-13(21-14)5-6-16/h1-4H,5-10,16H2.
What are the key properties of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 291.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106969607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).