3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

C12H11ClN2O3 — CID 117420567

IUPAC3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESCc1c(Cl)cc2c(c1-c1cc(N)on1)OCCO2
InChIInChI=1S/C12H11ClN2O3/c1-6-7(13)4-9-12(17-3-2-16-9)11(6)8-5-10(14)18-15-8/h4-5H,2-3,14H2,1H3
InChIKeyXYKBGGCMZZESBF-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.66
Rot. Bonds1

About 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (PubChem CID 117420567) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
PubChem CID117420567
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESCc1c(Cl)cc2c(c1-c1cc(N)on1)OCCO2
InChIInChI=1S/C12H11ClN2O3/c1-6-7(13)4-9-12(17-3-2-16-9)11(6)8-5-10(14)18-15-8/h4-5H,2-3,14H2,1H3
InChIKeyXYKBGGCMZZESBF-UHFFFAOYSA-N
XLogP2.66
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-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-(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
5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
6-(5-amino-1,2-oxazol-3-yl)-8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 136995197
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
CID 117409856
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117475202
5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117339872
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117372927
4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 137007271
3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325893
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (CID 117420567) is 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is Cc1c(Cl)cc2c(c1-c1cc(N)on1)OCCO2.
What is the InChIKey of 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The InChIKey is XYKBGGCMZZESBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-6-7(13)4-9-12(17-3-2-16-9)11(6)8-5-10(14)18-15-8/h4-5H,2-3,14H2,1H3.
What are the key properties of 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine has a molecular weight of 266.68 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117420567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).