4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine

C12H14N2O5S — CID 117480762

IUPAC4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(OC)c(S(C)(=O)=O)c1-c1cnoc1N
InChIInChI=1S/C12H14N2O5S/c1-17-8-4-5-9(18-2)11(20(3,15)16)10(8)7-6-14-19-12(7)13/h4-6H,13H2,1-3H3
InChIKeyCCZKBTLGFYHSEB-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.34
Rot. Bonds4

About 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine

4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117480762) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117480762
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(OC)c(S(C)(=O)=O)c1-c1cnoc1N
InChIInChI=1S/C12H14N2O5S/c1-17-8-4-5-9(18-2)11(20(3,15)16)10(8)7-6-14-19-12(7)13/h4-6H,13H2,1-3H3
InChIKeyCCZKBTLGFYHSEB-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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Related Compounds

4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
4-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117353085
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
CID 117388686
4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434464
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480763
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
CID 117453434
4-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117405284
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117480762) is 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine is COc1ccc(OC)c(S(C)(=O)=O)c1-c1cnoc1N.
What is the InChIKey of 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is CCZKBTLGFYHSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-17-8-4-5-9(18-2)11(20(3,15)16)10(8)7-6-14-19-12(7)13/h4-6H,13H2,1-3H3.
What are the key properties of 4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine?
4-(3,6-dimethoxy-2-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-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117480762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).