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

C13H15NO2 — CID 78913723

IUPAC5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2c(C)cccc2C)on1
InChIInChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)14-16-12/h4-7H,8H2,1-3H3
InChIKeyLJWDWFYHLYIWCD-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.18
Rot. Bonds3

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

5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole (PubChem CID 78913723) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
PubChem CID78913723
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2c(C)cccc2C)on1
InChIInChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)14-16-12/h4-7H,8H2,1-3H3
InChIKeyLJWDWFYHLYIWCD-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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Related Compounds

N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 60879041
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenol
CID 43143519
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
5-[(2,6-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 42564641
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole (CID 78913723) is 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole is Cc1cc(COc2c(C)cccc2C)on1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole?
The InChIKey is LJWDWFYHLYIWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)14-16-12/h4-7H,8H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole?
5-[(2,6-dimethylphenoxy)methyl]-3-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 5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 78913723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).