2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C20H25N5O4 — CID 9171463

IUPAC2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25N5O4/c26-18(24-7-1-2-8-24)13-23-9-11-25(12-10-23)19(27)14-28-17-5-3-16(4-6-17)20-22-21-15-29-20/h3-6,15H,1-2,7-14H2
InChIKeyVXQGHBIRZVGIJB-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.88
Rot. Bonds6

About 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 9171463) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID9171463
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25N5O4/c26-18(24-7-1-2-8-24)13-23-9-11-25(12-10-23)19(27)14-28-17-5-3-16(4-6-17)20-22-21-15-29-20/h3-6,15H,1-2,7-14H2
InChIKeyVXQGHBIRZVGIJB-UHFFFAOYSA-N
XLogP0.88
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide
CID 38929121
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 51726338
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 8869673
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009
(2R)-1-(azepan-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 40844528
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
N-(1-ethylpiperidin-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 37324633
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 9171463) is 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(-c2nnco2)cc1)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VXQGHBIRZVGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-18(24-7-1-2-8-24)13-23-9-11-25(12-10-23)19(27)14-28-17-5-3-16(4-6-17)20-22-21-15-29-20/h3-6,15H,1-2,7-14H2.
What are the key properties of 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 399.45 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 9171463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).