5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine

C12H12N2O4 — CID 117373049

IUPAC5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
SMILESCOc1cc2c(cc1-c1cc(N)no1)OCCO2
InChIInChI=1S/C12H12N2O4/c1-15-8-5-11-10(16-2-3-17-11)4-7(8)9-6-12(13)14-18-9/h4-6H,2-3H2,1H3,(H2,13,14)
InChIKeyGVYIBGRVBKYCIE-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.70
Rot. Bonds2

About 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine

5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine (PubChem CID 117373049) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
PubChem CID117373049
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
SMILESCOc1cc2c(cc1-c1cc(N)no1)OCCO2
InChIInChI=1S/C12H12N2O4/c1-15-8-5-11-10(16-2-3-17-11)4-7(8)9-6-12(13)14-18-9/h4-6H,2-3H2,1H3,(H2,13,14)
InChIKeyGVYIBGRVBKYCIE-UHFFFAOYSA-N
XLogP1.70
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117446006
5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
5-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117495870
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-1,2-oxazol-3-amine
CID 117445855
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117425013
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine (CID 117373049) is 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine is COc1cc2c(cc1-c1cc(N)no1)OCCO2.
What is the InChIKey of 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine?
The InChIKey is GVYIBGRVBKYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-15-8-5-11-10(16-2-3-17-11)4-7(8)9-6-12(13)14-18-9/h4-6H,2-3H2,1H3,(H2,13,14).
What are the key properties of 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine?
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine has a molecular weight of 248.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117373049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).