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

C19H19FN4O2S — CID 38219307

IUPAC2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-16-4-2-1-3-14(16)11-18(25)24-8-6-23(7-9-24)12-17-21-19(22-26-17)15-5-10-27-13-15/h1-5,10,13H,6-9,11-12H2
InChIKeyLLLZQVIMPHWFRN-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.82
Rot. Bonds5

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

2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 38219307) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID38219307
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-16-4-2-1-3-14(16)11-18(25)24-8-6-23(7-9-24)12-17-21-19(22-26-17)15-5-10-27-13-15/h1-5,10,13H,6-9,11-12H2
InChIKeyLLLZQVIMPHWFRN-UHFFFAOYSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
1-{[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinecarboxamide
CID 2811320
N-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-(2-thienylmethyl)methanamine
CID 16191033
N-methyl-1-(1-morpholin-4-ylcyclohexyl)-N-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191766
(S)-(4-fluorophenyl)(3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 1457403
(4-Fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 3226279
2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952510
2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952612
N-(2-phenylethyl)-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 1506858
N-(4-fluorobenzyl)-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 1508621
N-methyl-N-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-thienyl)ethanamine
CID 16191290

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 38219307) is 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCN(Cc2nc(-c3ccsc3)no2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is LLLZQVIMPHWFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-16-4-2-1-3-14(16)11-18(25)24-8-6-23(7-9-24)12-17-21-19(22-26-17)15-5-10-27-13-15/h1-5,10,13H,6-9,11-12H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 386.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 38219307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).