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

C10H8N2O4 — CID 136993765

IUPAC6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(cc2O)OCO3)on1
InChIInChI=1S/C10H8N2O4/c11-10-3-7(16-12-10)5-1-8-9(2-6(5)13)15-4-14-8/h1-3,13H,4H2,(H2,11,12)
InChIKeyVXDZQXAZLLLUTH-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.36
Rot. Bonds1

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

6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol (PubChem CID 136993765) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
PubChem CID136993765
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(cc2O)OCO3)on1
InChIInChI=1S/C10H8N2O4/c11-10-3-7(16-12-10)5-1-8-9(2-6(5)13)15-4-14-8/h1-3,13H,4H2,(H2,11,12)
InChIKeyVXDZQXAZLLLUTH-UHFFFAOYSA-N
XLogP1.36
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
CID 137013109
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777
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
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
CID 117313712
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
4-(3-amino-1,2-oxazol-5-yl)-6-bromo-1,3-benzodioxol-5-ol
CID 136966346

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol (CID 136993765) is 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol is Nc1cc(-c2cc3c(cc2O)OCO3)on1.
What is the InChIKey of 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol?
The InChIKey is VXDZQXAZLLLUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-10-3-7(16-12-10)5-1-8-9(2-6(5)13)15-4-14-8/h1-3,13H,4H2,(H2,11,12).
What are the key properties of 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol?
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol has a molecular weight of 220.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 136993765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).