5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine

C12H12N2O3 — CID 117335995

IUPAC5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
SMILESCCc1cc2c(cc1-c1cc(N)no1)OCO2
InChIInChI=1S/C12H12N2O3/c1-2-7-3-10-11(16-6-15-10)4-8(7)9-5-12(13)14-17-9/h3-5H,2,6H2,1H3,(H2,13,14)
InChIKeyQVSKOUVQOWXIIE-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.21
Rot. Bonds2

About 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine

5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine (PubChem CID 117335995) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
PubChem CID117335995
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
SMILESCCc1cc2c(cc1-c1cc(N)no1)OCO2
InChIInChI=1S/C12H12N2O3/c1-2-7-3-10-11(16-6-15-10)4-8(7)9-5-12(13)14-17-9/h3-5H,2,6H2,1H3,(H2,13,14)
InChIKeyQVSKOUVQOWXIIE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
CID 117420990
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117425013
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
CID 136931071
5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117344211

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine (CID 117335995) is 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine is CCc1cc2c(cc1-c1cc(N)no1)OCO2.
What is the InChIKey of 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The InChIKey is QVSKOUVQOWXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-7-3-10-11(16-6-15-10)4-8(7)9-5-12(13)14-17-9/h3-5H,2,6H2,1H3,(H2,13,14).
What are the key properties of 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine has a molecular weight of 232.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117335995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).