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

C12H14N2O5S — CID 117480763

IUPAC4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H14N2O5S/c1-17-7-4-8(9-6-14-19-12(9)13)11(18-2)10(5-7)20(3,15)16/h4-6H,13H2,1-3H3
InChIKeyXYLHBLCCMMGSAG-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.34
Rot. Bonds4

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

4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117480763) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117480763
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H14N2O5S/c1-17-7-4-8(9-6-14-19-12(9)13)11(18-2)10(5-7)20(3,15)16/h4-6H,13H2,1-3H3
InChIKeyXYLHBLCCMMGSAG-UHFFFAOYSA-N
XLogP1.34
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117480763) is 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)c(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is XYLHBLCCMMGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-17-7-4-8(9-6-14-19-12(9)13)11(18-2)10(5-7)20(3,15)16/h4-6H,13H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine has a molecular weight of 298.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117480763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).