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

C20H27N5O3 — CID 100699939

IUPAC2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
SMILESC[C@@H](c1noc(-c2ccccc2)n1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H27N5O3/c1-16(19-21-20(28-22-19)17-5-3-2-4-6-17)24-7-9-25(10-8-24)18(26)15-23-11-13-27-14-12-23/h2-6,16H,7-15H2,1H3/t16-/m0/s1
InChIKeyALOUIIHZTRNRFF-INIZCTEOSA-N
MW385.47 g/mol
LogP1.27
Rot. Bonds5

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

2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 100699939) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID100699939
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
SMILESC[C@@H](c1noc(-c2ccccc2)n1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H27N5O3/c1-16(19-21-20(28-22-19)17-5-3-2-4-6-17)24-7-9-25(10-8-24)18(26)15-23-11-13-27-14-12-23/h2-6,16H,7-15H2,1H3/t16-/m0/s1
InChIKeyALOUIIHZTRNRFF-INIZCTEOSA-N
XLogP1.27
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52532974
1-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 51111820
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
CID 71917758
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 94799308
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
N,N-diethyl-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 55498439
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone (CID 100699939) is 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone is C[C@@H](c1noc(-c2ccccc2)n1)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is ALOUIIHZTRNRFF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-16(19-21-20(28-22-19)17-5-3-2-4-6-17)24-7-9-25(10-8-24)18(26)15-23-11-13-27-14-12-23/h2-6,16H,7-15H2,1H3/t16-/m0/s1.
What are the key properties of 2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 385.47 g/mol, XLogP of 1.27, 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-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 100699939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).