2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C16H27N5O3 — CID 51076644

IUPAC2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1noc(C(C)N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H27N5O3/c1-3-14-17-16(24-18-14)13(2)20-6-4-19(5-7-20)12-15(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3
InChIKeyMLECEJARDVIQKO-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.17
Rot. Bonds5

About 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 51076644) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID51076644
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1noc(C(C)N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H27N5O3/c1-3-14-17-16(24-18-14)13(2)20-6-4-19(5-7-20)12-15(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3
InChIKeyMLECEJARDVIQKO-UHFFFAOYSA-N
XLogP0.17
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 51076644) is 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CCc1noc(C(C)N2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is MLECEJARDVIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-3-14-17-16(24-18-14)13(2)20-6-4-19(5-7-20)12-15(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3.
What are the key properties of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 337.42 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51076644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).