2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

C11H11N3O4 — CID 103890610

IUPAC2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ncno1)c1c(O)cccc1O
InChIInChI=1S/C11H11N3O4/c15-7-2-1-3-8(16)10(7)11(17)12-5-4-9-13-6-14-18-9/h1-3,6,15-16H,4-5H2,(H,12,17)
InChIKeyPMNGBPJMMGPZGE-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.45
Rot. Bonds4

About 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 103890610) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID103890610
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ncno1)c1c(O)cccc1O
InChIInChI=1S/C11H11N3O4/c15-7-2-1-3-8(16)10(7)11(17)12-5-4-9-13-6-14-18-9/h1-3,6,15-16H,4-5H2,(H,12,17)
InChIKeyPMNGBPJMMGPZGE-UHFFFAOYSA-N
XLogP0.45
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103744003
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 103744016
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 114184224

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 103890610) is 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is O=C(NCCc1ncno1)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is PMNGBPJMMGPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-7-2-1-3-8(16)10(7)11(17)12-5-4-9-13-6-14-18-9/h1-3,6,15-16H,4-5H2,(H,12,17).
What are the key properties of 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 249.23 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103890610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).