6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol

C11H10N2O3 — CID 137013109

IUPAC6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
SMILESNc1cc(-c2cc3c(cc2O)COC3)on1
InChIInChI=1S/C11H10N2O3/c12-11-3-10(16-13-11)8-1-6-4-15-5-7(6)2-9(8)14/h1-3,14H,4-5H2,(H2,12,13)
InChIKeyQVNLLBMVFROOLV-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.66
Rot. Bonds1

About 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol

6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol (PubChem CID 137013109) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol.

Molecular Properties

Compound Name6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
PubChem CID137013109
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
SMILESNc1cc(-c2cc3c(cc2O)COC3)on1
InChIInChI=1S/C11H10N2O3/c12-11-3-10(16-13-11)8-1-6-4-15-5-7(6)2-9(8)14/h1-3,14H,4-5H2,(H2,12,13)
InChIKeyQVNLLBMVFROOLV-UHFFFAOYSA-N
XLogP1.66
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
5-(1,3-dihydro-2-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66200815
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 137003431
5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117344211
5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
CID 117305645
5-(3-amino-1,2-oxazol-5-yl)quinolin-8-ol
CID 136968536
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol?
The IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol (CID 137013109) is 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol.
What is the SMILES notation for 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol?
The canonical SMILES for 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol is Nc1cc(-c2cc3c(cc2O)COC3)on1.
What is the InChIKey of 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol?
The InChIKey is QVNLLBMVFROOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-11-3-10(16-13-11)8-1-6-4-15-5-7(6)2-9(8)14/h1-3,14H,4-5H2,(H2,12,13).
What are the key properties of 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol?
6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol has a molecular weight of 218.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol is sourced from PubChem (CID 137013109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).