3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole

C13H15NO2 — CID 3073025

IUPAC3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2c(C)cccc2C)no1
InChIInChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)16-14-12/h4-7H,8H2,1-3H3
InChIKeyNNOOILDKFIECSP-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.18
Rot. Bonds3

About 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole

3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole (PubChem CID 3073025) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole
PubChem CID3073025
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2c(C)cccc2C)no1
InChIInChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)16-14-12/h4-7H,8H2,1-3H3
InChIKeyNNOOILDKFIECSP-UHFFFAOYSA-N
XLogP3.18
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole (CID 3073025) is 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole is Cc1cc(COc2c(C)cccc2C)no1.
What is the InChIKey of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole?
The InChIKey is NNOOILDKFIECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)16-14-12/h4-7H,8H2,1-3H3.
What are the key properties of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole?
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 3073025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).