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

C13H15NO2 — CID 60673786

IUPAC3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCCc1ccccc1OCc1cc(C)on1
InChIInChI=1S/C13H15NO2/c1-3-11-6-4-5-7-13(11)15-9-12-8-10(2)16-14-12/h4-8H,3,9H2,1-2H3
InChIKeyUAJFNHWTNGWHSH-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.12
Rot. Bonds4

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

3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole (PubChem CID 60673786) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
PubChem CID60673786
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCCc1ccccc1OCc1cc(C)on1
InChIInChI=1S/C13H15NO2/c1-3-11-6-4-5-7-13(11)15-9-12-8-10(2)16-14-12/h4-8H,3,9H2,1-2H3
InChIKeyUAJFNHWTNGWHSH-UHFFFAOYSA-N
XLogP3.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765671
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2479657
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
CID 103058694
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
CID 141045942

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole (CID 60673786) is 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole is CCc1ccccc1OCc1cc(C)on1.
What is the InChIKey of 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole?
The InChIKey is UAJFNHWTNGWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-11-6-4-5-7-13(11)15-9-12-8-10(2)16-14-12/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole?
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 60673786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).