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

C12H14N2O3 — CID 117340342

IUPAC3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(C)c(OC)c1-c1cc(N)on1
InChIInChI=1S/C12H14N2O3/c1-7-4-5-9(15-2)11(12(7)16-3)8-6-10(13)17-14-8/h4-6H,13H2,1-3H3
InChIKeyKUIYNTFRBPJDHV-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.25
Rot. Bonds3

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

3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117340342) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117340342
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(C)c(OC)c1-c1cc(N)on1
InChIInChI=1S/C12H14N2O3/c1-7-4-5-9(15-2)11(12(7)16-3)8-6-10(13)17-14-8/h4-6H,13H2,1-3H3
InChIKeyKUIYNTFRBPJDHV-UHFFFAOYSA-N
XLogP2.25
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,7-dimethoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117428855
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
CID 136942354
3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117398617

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine (CID 117340342) is 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine is COc1ccc(C)c(OC)c1-c1cc(N)on1.
What is the InChIKey of 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is KUIYNTFRBPJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-5-9(15-2)11(12(7)16-3)8-6-10(13)17-14-8/h4-6H,13H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine?
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 234.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117340342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).