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

C13H14N2O3 — CID 75357494

IUPAC3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine
SMILESNc1cc(CCc2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C13H14N2O3/c14-13-8-10(15-18-13)3-1-9-2-4-11-12(7-9)17-6-5-16-11/h2,4,7-8H,1,3,5-6,14H2
InChIKeyOYJNLGUUJXOZNX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.81
Rot. Bonds3

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

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine (PubChem CID 75357494) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine
PubChem CID75357494
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine
SMILESNc1cc(CCc2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C13H14N2O3/c14-13-8-10(15-18-13)3-1-9-2-4-11-12(7-9)17-6-5-16-11/h2,4,7-8H,1,3,5-6,14H2
InChIKeyOYJNLGUUJXOZNX-UHFFFAOYSA-N
XLogP1.81
TPSA70.51 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanethioamide
CID 82080478
5-bromo-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylimidazol-2-amine
CID 84611439
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine
CID 82293610
4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
CID 84611196
1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzene-1,2-diamine
CID 66066056
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
CID 104539752
3-amino-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 64573235

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine (CID 75357494) is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine is Nc1cc(CCc2ccc3c(c2)OCCO3)no1.
What is the InChIKey of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is OYJNLGUUJXOZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-13-8-10(15-18-13)3-1-9-2-4-11-12(7-9)17-6-5-16-11/h2,4,7-8H,1,3,5-6,14H2.
What are the key properties of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine?
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 246.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 75357494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).