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

C13H16N2O2 — CID 82289646

IUPAC4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine
SMILESCOc1c(C)cc(-c2coc(N)n2)c(C)c1C
InChIInChI=1S/C13H16N2O2/c1-7-5-10(11-6-17-13(14)15-11)8(2)9(3)12(7)16-4/h5-6H,1-4H3,(H2,14,15)
InChIKeyQXHHCJNKHVWNGU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.86
Rot. Bonds2

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

4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine (PubChem CID 82289646) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine
PubChem CID82289646
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine
SMILESCOc1c(C)cc(-c2coc(N)n2)c(C)c1C
InChIInChI=1S/C13H16N2O2/c1-7-5-10(11-6-17-13(14)15-11)8(2)9(3)12(7)16-4/h5-6H,1-4H3,(H2,14,15)
InChIKeyQXHHCJNKHVWNGU-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

2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215
4-[2-methoxy-3-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 90706867
4-(4-methoxy-2,3,5-trimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894914
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine
CID 84605999
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82484722
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
CID 82306331
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
CID 116889050

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine (CID 82289646) is 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine is COc1c(C)cc(-c2coc(N)n2)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine?
The InChIKey is QXHHCJNKHVWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-5-10(11-6-17-13(14)15-11)8(2)9(3)12(7)16-4/h5-6H,1-4H3,(H2,14,15).
What are the key properties of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine?
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-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 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 82289646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).