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

C20H27N5O4 — CID 55571906

IUPAC[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(-c2noc(CN3CCN(C(=O)N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C20H27N5O4/c1-2-28-17-5-3-16(4-6-17)19-21-18(29-22-19)15-23-7-9-24(10-8-23)20(26)25-11-13-27-14-12-25/h3-6H,2,7-15H2,1H3
InChIKeyBIMONVQMYBIYMB-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.71
Rot. Bonds5

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

[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 55571906) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID55571906
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(-c2noc(CN3CCN(C(=O)N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C20H27N5O4/c1-2-28-17-5-3-16(4-6-17)19-21-18(29-22-19)15-23-7-9-24(10-8-23)20(26)25-11-13-27-14-12-25/h3-6H,2,7-15H2,1H3
InChIKeyBIMONVQMYBIYMB-UHFFFAOYSA-N
XLogP1.71
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
1-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 55572686
[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46572988
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
(6-ethoxy-3-pyridinyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 47048163
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 43067273
3-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 46573079
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
(4-ethylpiperazin-1-yl)-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38148901
3-(4-ethoxyphenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015623
3-(4-chlorophenoxy)-1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 55704457
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 55571906) is [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone is CCOc1ccc(-c2noc(CN3CCN(C(=O)N4CCOCC4)CC3)n2)cc1.
What is the InChIKey of [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is BIMONVQMYBIYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-2-28-17-5-3-16(4-6-17)19-21-18(29-22-19)15-23-7-9-24(10-8-23)20(26)25-11-13-27-14-12-25/h3-6H,2,7-15H2,1H3.
What are the key properties of [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 401.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55571906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).