3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole

C12H14N2O2 — CID 78953139

IUPAC3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(COc2c(C)cccc2C)no1
InChIInChI=1S/C12H14N2O2/c1-8-5-4-6-9(2)12(8)15-7-11-13-10(3)16-14-11/h4-6H,7H2,1-3H3
InChIKeyOZTAXBAMFSMZPF-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.57
Rot. Bonds3

About 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole

3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 78953139) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID78953139
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(COc2c(C)cccc2C)no1
InChIInChI=1S/C12H14N2O2/c1-8-5-4-6-9(2)12(8)15-7-11-13-10(3)16-14-11/h4-6H,7H2,1-3H3
InChIKeyOZTAXBAMFSMZPF-UHFFFAOYSA-N
XLogP2.57
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenoxy)ethyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692359
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60879692
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 115958083
2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911706
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole (CID 78953139) is 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(COc2c(C)cccc2C)no1.
What is the InChIKey of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is OZTAXBAMFSMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-5-4-6-9(2)12(8)15-7-11-13-10(3)16-14-11/h4-6H,7H2,1-3H3.
What are the key properties of 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 78953139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).