1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

C13H14N2O3 — CID 65289215

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2cccc3c2OCCO3)n1
InChIInChI=1S/C13H14N2O3/c1-14-7-9-8-18-13(15-9)10-3-2-4-11-12(10)17-6-5-16-11/h2-4,8,14H,5-7H2,1H3
InChIKeyVEIFIOKJBZWVOQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.83
Rot. Bonds3

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

1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 65289215) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID65289215
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2cccc3c2OCCO3)n1
InChIInChI=1S/C13H14N2O3/c1-14-7-9-8-18-13(15-9)10-3-2-4-11-12(10)17-6-5-16-11/h2-4,8,14H,5-7H2,1H3
InChIKeyVEIFIOKJBZWVOQ-UHFFFAOYSA-N
XLogP1.83
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 65289215) is 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(-c2cccc3c2OCCO3)n1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is VEIFIOKJBZWVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14-7-9-8-18-13(15-9)10-3-2-4-11-12(10)17-6-5-16-11/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 246.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65289215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).