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

C13H14N2O3 — CID 82295111

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccc3c(c2)OCCO3)co1
InChIInChI=1S/C13H14N2O3/c14-4-3-13-15-10(8-18-13)9-1-2-11-12(7-9)17-6-5-16-11/h1-2,7-8H,3-6,14H2
InChIKeyOYCQTMHYORWUKD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.61
Rot. Bonds3

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

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82295111) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82295111
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccc3c(c2)OCCO3)co1
InChIInChI=1S/C13H14N2O3/c14-4-3-13-15-10(8-18-13)9-1-2-11-12(7-9)17-6-5-16-11/h1-2,7-8H,3-6,14H2
InChIKeyOYCQTMHYORWUKD-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
CID 117001756
2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 82302700
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-[4-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanamine
CID 84611451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine (CID 82295111) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine is NCCc1nc(-c2ccc3c(c2)OCCO3)co1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OYCQTMHYORWUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-4-3-13-15-10(8-18-13)9-1-2-11-12(7-9)17-6-5-16-11/h1-2,7-8H,3-6,14H2.
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 246.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82295111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).