5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol

C11H10N2O4 — CID 117339872

IUPAC5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESNc1cc(-c2cc(O)cc3c2OCCO3)no1
InChIInChI=1S/C11H10N2O4/c12-10-5-8(13-17-10)7-3-6(14)4-9-11(7)16-2-1-15-9/h3-5,14H,1-2,12H2
InChIKeyXMQJBCWHXQMNTG-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.40
Rot. Bonds1

About 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol

5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 117339872) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID117339872
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESNc1cc(-c2cc(O)cc3c2OCCO3)no1
InChIInChI=1S/C11H10N2O4/c12-10-5-8(13-17-10)7-3-6(14)4-9-11(7)16-2-1-15-9/h3-5,14H,1-2,12H2
InChIKeyXMQJBCWHXQMNTG-UHFFFAOYSA-N
XLogP1.40
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136992021
3-(6-bromo-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117454787
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117372927
6-(5-amino-1,2-oxazol-3-yl)-8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 136995197
3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-amine
CID 117495906
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491
3-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]-1,2-oxazol-5-amine
CID 117344216
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
CID 117409856

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol (CID 117339872) is 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol is Nc1cc(-c2cc(O)cc3c2OCCO3)no1.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is XMQJBCWHXQMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c12-10-5-8(13-17-10)7-3-6(14)4-9-11(7)16-2-1-15-9/h3-5,14H,1-2,12H2.
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 234.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 117339872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).