ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate

C18H22N4O7S — CID 4656849

IUPACethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2nnc(COc3ccccc3)o2)CC1
InChIInChI=1S/C18H22N4O7S/c1-2-27-18(24)22-10-8-21(9-11-22)16(23)13-30(25,26)17-20-19-15(29-17)12-28-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyFBEYBJGFWGGATH-UHFFFAOYSA-N
MW438.46 g/mol
LogP0.72
Rot. Bonds7

About ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate (PubChem CID 4656849) has the molecular formula C18H22N4O7S and a molecular weight of 438.46 g/mol. Its IUPAC name is ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate
PubChem CID4656849
Molecular FormulaC18H22N4O7S
Molecular Weight438.46 g/mol
Exact Mass438.12
IUPAC Nameethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2nnc(COc3ccccc3)o2)CC1
InChIInChI=1S/C18H22N4O7S/c1-2-27-18(24)22-10-8-21(9-11-22)16(23)13-30(25,26)17-20-19-15(29-17)12-28-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyFBEYBJGFWGGATH-UHFFFAOYSA-N
XLogP0.72
TPSA132.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate
CID 3518845
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
ethyl 4-[2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate
CID 3672631
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 4135331
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
ethyl 4-[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 126156286
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 5207611
ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
CID 91945458
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
CID 108569114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate (CID 4656849) is ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2nnc(COc3ccccc3)o2)CC1.
What is the InChIKey of ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate?
The InChIKey is FBEYBJGFWGGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O7S/c1-2-27-18(24)22-10-8-21(9-11-22)16(23)13-30(25,26)17-20-19-15(29-17)12-28-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate has a molecular weight of 438.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 4656849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).