5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine

C12H14N2O3S — CID 117419900

IUPAC5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)c(OC)c1SC
InChIInChI=1S/C12H14N2O3S/c1-15-8-5-4-7(9-6-10(13)14-17-9)11(16-2)12(8)18-3/h4-6H,1-3H3,(H2,13,14)
InChIKeyWPAGAQGYLGLQLO-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.66
Rot. Bonds4

About 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine

5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine (PubChem CID 117419900) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
PubChem CID117419900
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)c(OC)c1SC
InChIInChI=1S/C12H14N2O3S/c1-15-8-5-4-7(9-6-10(13)14-17-9)11(16-2)12(8)18-3/h4-6H,1-3H3,(H2,13,14)
InChIKeyWPAGAQGYLGLQLO-UHFFFAOYSA-N
XLogP2.66
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine (CID 117419900) is 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2cc(N)no2)c(OC)c1SC.
What is the InChIKey of 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The InChIKey is WPAGAQGYLGLQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-15-8-5-4-7(9-6-10(13)14-17-9)11(16-2)12(8)18-3/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine?
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine has a molecular weight of 266.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117419900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).