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

C16H27N5O3 — CID 47070099

IUPAC2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1nc(CN2CCN(C(=O)CN3CCOCC3)CC2)no1
InChIInChI=1S/C16H27N5O3/c1-13(2)16-17-14(18-24-16)11-19-3-5-21(6-4-19)15(22)12-20-7-9-23-10-8-20/h13H,3-12H2,1-2H3
InChIKeyAGUGQSNEVLUBNG-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.17
Rot. Bonds5

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

2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 47070099) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
PubChem CID47070099
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1nc(CN2CCN(C(=O)CN3CCOCC3)CC2)no1
InChIInChI=1S/C16H27N5O3/c1-13(2)16-17-14(18-24-16)11-19-3-5-21(6-4-19)15(22)12-20-7-9-23-10-8-20/h13H,3-12H2,1-2H3
InChIKeyAGUGQSNEVLUBNG-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-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone (CID 47070099) is 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone is CC(C)c1nc(CN2CCN(C(=O)CN3CCOCC3)CC2)no1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is AGUGQSNEVLUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-13(2)16-17-14(18-24-16)11-19-3-5-21(6-4-19)15(22)12-20-7-9-23-10-8-20/h13H,3-12H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone 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-morpholin-4-yl-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 47070099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).