3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide

C17H20N4O5 — CID 166355742

IUPAC3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NC2CCCC2c2noc(=O)[nH]2)c1
InChIInChI=1S/C17H20N4O5/c18-15(23)10-3-1-4-11(9-10)25-8-7-14(22)19-13-6-2-5-12(13)16-20-17(24)26-21-16/h1,3-4,9,12-13H,2,5-8H2,(H2,18,23)(H,19,22)(H,20,21,24)
InChIKeyBIBFVQHSTJSGIU-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.68
Rot. Bonds7

About 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide

3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide (PubChem CID 166355742) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide.

Molecular Properties

Compound Name3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide
PubChem CID166355742
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NC2CCCC2c2noc(=O)[nH]2)c1
InChIInChI=1S/C17H20N4O5/c18-15(23)10-3-1-4-11(9-10)25-8-7-14(22)19-13-6-2-5-12(13)16-20-17(24)26-21-16/h1,3-4,9,12-13H,2,5-8H2,(H2,18,23)(H,19,22)(H,20,21,24)
InChIKeyBIBFVQHSTJSGIU-UHFFFAOYSA-N
XLogP0.68
TPSA140.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide?
The IUPAC name of 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide (CID 166355742) is 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide.
What is the SMILES notation for 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide?
The canonical SMILES for 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide is NC(=O)c1cccc(OCCC(=O)NC2CCCC2c2noc(=O)[nH]2)c1.
What is the InChIKey of 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide?
The InChIKey is BIBFVQHSTJSGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c18-15(23)10-3-1-4-11(9-10)25-8-7-14(22)19-13-6-2-5-12(13)16-20-17(24)26-21-16/h1,3-4,9,12-13H,2,5-8H2,(H2,18,23)(H,19,22)(H,20,21,24).
What are the key properties of 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide?
3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide has a molecular weight of 360.37 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide is sourced from PubChem (CID 166355742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).