2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine

C13H12N2O3 — CID 141070530

IUPAC2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine
SMILESNCCOc1ccc2cc(-c3ccon3)oc2c1
InChIInChI=1S/C13H12N2O3/c14-4-6-16-10-2-1-9-7-13(18-12(9)8-10)11-3-5-17-15-11/h1-3,5,7-8H,4,6,14H2
InChIKeyARNWYYKGQBHHTR-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.43
Rot. Bonds4

About 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine

2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine (PubChem CID 141070530) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine
PubChem CID141070530
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine
SMILESNCCOc1ccc2cc(-c3ccon3)oc2c1
InChIInChI=1S/C13H12N2O3/c14-4-6-16-10-2-1-9-7-13(18-12(9)8-10)11-3-5-17-15-11/h1-3,5,7-8H,4,6,14H2
InChIKeyARNWYYKGQBHHTR-UHFFFAOYSA-N
XLogP2.43
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine with MolForge

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Related Compounds

(2S)-1-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 18660897
7-(2-aminoethoxy)chromen-2-one
CID 82506816
2-(1,2-benzoxazol-6-yloxy)ethanamine
CID 84656369
[2-(6-methoxy-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113849
(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol
CID 22872431
2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 121440007
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
N'-[2-(1-benzofuran-5-yloxy)ethyl]ethane-1,2-diamine
CID 69274959
2-dibenzofuran-3-yloxyethanamine
CID 18615231
2-(1-methylindazol-6-yl)oxyethanamine
CID 84663334

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine?
The IUPAC name of 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine (CID 141070530) is 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine?
The canonical SMILES for 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine is NCCOc1ccc2cc(-c3ccon3)oc2c1.
What is the InChIKey of 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine?
The InChIKey is ARNWYYKGQBHHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-4-6-16-10-2-1-9-7-13(18-12(9)8-10)11-3-5-17-15-11/h1-3,5,7-8H,4,6,14H2.
What are the key properties of 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine?
2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine has a molecular weight of 244.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine is sourced from PubChem (CID 141070530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).