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

C17H23N5O2 — CID 71917758

IUPAC4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H23N5O2/c1-3-21-9-11-22(12-10-21)17(23)18-13(2)15-19-16(24-20-15)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,23)
InChIKeyXQHPISSKJTXMPA-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds4

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

4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 71917758) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID71917758
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H23N5O2/c1-3-21-9-11-22(12-10-21)17(23)18-13(2)15-19-16(24-20-15)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,23)
InChIKeyXQHPISSKJTXMPA-UHFFFAOYSA-N
XLogP2.14
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
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CID 119340919
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122006749
2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 100699939
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4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
CID 71867499
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 139000135
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 119813900
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide (CID 71917758) is 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NC(C)c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is XQHPISSKJTXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-21-9-11-22(12-10-21)17(23)18-13(2)15-19-16(24-20-15)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,23).
What are the key properties of 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide?
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71917758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).