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

C13H14N2O4 — CID 117409856

IUPAC3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
SMILESCOCc1ccc2c(c1-c1cc(N)on1)OCCO2
InChIInChI=1S/C13H14N2O4/c1-16-7-8-2-3-10-13(18-5-4-17-10)12(8)9-6-11(14)19-15-9/h2-3,6H,4-5,7,14H2,1H3
InChIKeyAQMDLGTWNZFXSR-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.84
Rot. Bonds3

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

3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine (PubChem CID 117409856) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
PubChem CID117409856
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
SMILESCOCc1ccc2c(c1-c1cc(N)on1)OCCO2
InChIInChI=1S/C13H14N2O4/c1-16-7-8-2-3-10-13(18-5-4-17-10)12(8)9-6-11(14)19-15-9/h2-3,6H,4-5,7,14H2,1H3
InChIKeyAQMDLGTWNZFXSR-UHFFFAOYSA-N
XLogP1.84
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazole-3-carboxylic acid
CID 117470340
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117372927
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567
5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136992021
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414895
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methylpropan-2-amine
CID 117381667
[1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclobutyl]methanamine
CID 117412716
3-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117498194
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 117321785

Frequently Asked Questions

What is the IUPAC name of 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine (CID 117409856) is 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine is COCc1ccc2c(c1-c1cc(N)on1)OCCO2.
What is the InChIKey of 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine?
The InChIKey is AQMDLGTWNZFXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-16-7-8-2-3-10-13(18-5-4-17-10)12(8)9-6-11(14)19-15-9/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine?
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine has a molecular weight of 262.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117409856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).