[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol

C13H15NO3 — CID 82371289

IUPAC[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(-c2noc(C)c2CO)cc1C
InChIInChI=1S/C13H15NO3/c1-8-6-10(4-5-12(8)16-3)13-11(7-15)9(2)17-14-13/h4-6,15H,7H2,1-3H3
InChIKeyXWXFPTYWJQBYMO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.46
Rot. Bonds3

About [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol

[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol (PubChem CID 82371289) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
PubChem CID82371289
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(-c2noc(C)c2CO)cc1C
InChIInChI=1S/C13H15NO3/c1-8-6-10(4-5-12(8)16-3)13-11(7-15)9(2)17-14-13/h4-6,15H,7H2,1-3H3
InChIKeyXWXFPTYWJQBYMO-UHFFFAOYSA-N
XLogP2.46
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
CID 83850499
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
2-bromo-1-[3-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741261
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371560
[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868323

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol (CID 82371289) is [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol is COc1ccc(-c2noc(C)c2CO)cc1C.
What is the InChIKey of [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The InChIKey is XWXFPTYWJQBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-6-10(4-5-12(8)16-3)13-11(7-15)9(2)17-14-13/h4-6,15H,7H2,1-3H3.
What are the key properties of [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 82371289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).