3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine

C12H12N2O4 — CID 117372927

IUPAC3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)ccc2c1OCCO2
InChIInChI=1S/C12H12N2O4/c1-15-11-7(8-6-10(13)18-14-8)2-3-9-12(11)17-5-4-16-9/h2-3,6H,4-5,13H2,1H3
InChIKeySMABHZOJOIMEJB-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.70
Rot. Bonds2

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

3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine (PubChem CID 117372927) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
PubChem CID117372927
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)ccc2c1OCCO2
InChIInChI=1S/C12H12N2O4/c1-15-11-7(8-6-10(13)18-14-8)2-3-9-12(11)17-5-4-16-9/h2-3,6H,4-5,13H2,1H3
InChIKeySMABHZOJOIMEJB-UHFFFAOYSA-N
XLogP1.70
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-amine
CID 117495906
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
CID 117409856
3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine
CID 117438070
5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117339872
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117424344
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine (CID 117372927) is 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine is COc1c(-c2cc(N)on2)ccc2c1OCCO2.
What is the InChIKey of 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
The InChIKey is SMABHZOJOIMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-15-11-7(8-6-10(13)18-14-8)2-3-9-12(11)17-5-4-16-9/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine has a molecular weight of 248.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117372927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).