[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine

C12H12N2O3 — CID 28808405

IUPAC[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C12H12N2O3/c13-7-9-6-11(17-14-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6H,3-4,7,13H2
InChIKeyUORCYZBBWDHUJM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.57
Rot. Bonds2

About [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine

[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine (PubChem CID 28808405) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
PubChem CID28808405
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C12H12N2O3/c13-7-9-6-11(17-14-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6H,3-4,7,13H2
InChIKeyUORCYZBBWDHUJM-UHFFFAOYSA-N
XLogP1.57
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine (CID 28808405) is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine is NCc1cc(-c2ccc3c(c2)OCCO3)on1.
What is the InChIKey of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is UORCYZBBWDHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-7-9-6-11(17-14-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6H,3-4,7,13H2.
What are the key properties of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine?
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 232.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 28808405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).