3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine

C13H16N2O2 — CID 115112351

IUPAC3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(C)c(C)cc(C)c1-c1cc(N)on1
InChIInChI=1S/C13H16N2O2/c1-7-5-8(2)12(13(16-4)9(7)3)10-6-11(14)17-15-10/h5-6H,14H2,1-4H3
InChIKeyHRDSOWQJPBPAOV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.86
Rot. Bonds2

About 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine

3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 115112351) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
PubChem CID115112351
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(C)c(C)cc(C)c1-c1cc(N)on1
InChIInChI=1S/C13H16N2O2/c1-7-5-8(2)12(13(16-4)9(7)3)10-6-11(14)17-15-10/h5-6H,14H2,1-4H3
InChIKeyHRDSOWQJPBPAOV-UHFFFAOYSA-N
XLogP2.86
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
CID 136942354
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
3-(3-bromo-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454864
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine
CID 117438070
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117405269

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine (CID 115112351) is 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine is COc1c(C)c(C)cc(C)c1-c1cc(N)on1.
What is the InChIKey of 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is HRDSOWQJPBPAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-5-8(2)12(13(16-4)9(7)3)10-6-11(14)17-15-10/h5-6H,14H2,1-4H3.
What are the key properties of 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 232.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115112351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).