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

C18H31N5O3 — CID 51112948

IUPAC2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N5O3/c1-14(16-19-17(20-26-16)18(2,3)4)22-7-5-21(6-8-22)13-15(24)23-9-11-25-12-10-23/h14H,5-13H2,1-4H3
InChIKeyZLCWMFDFWSDVFA-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.90
Rot. Bonds4

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

2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 51112948) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID51112948
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N5O3/c1-14(16-19-17(20-26-16)18(2,3)4)22-7-5-21(6-8-22)13-15(24)23-9-11-25-12-10-23/h14H,5-13H2,1-4H3
InChIKeyZLCWMFDFWSDVFA-UHFFFAOYSA-N
XLogP0.90
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.90
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-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 51112948) is 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CC(c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is ZLCWMFDFWSDVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-14(16-19-17(20-26-16)18(2,3)4)22-7-5-21(6-8-22)13-15(24)23-9-11-25-12-10-23/h14H,5-13H2,1-4H3.
What are the key properties of 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 365.48 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51112948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).