3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole

C13H17NO — CID 118857309

IUPAC3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole
SMILESCc1cccc(C)c1N1C=COC1(C)C
InChIInChI=1S/C13H17NO/c1-10-6-5-7-11(2)12(10)14-8-9-15-13(14,3)4/h5-9H,1-4H3
InChIKeyBOOXKLIHRGJGML-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.35
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole

3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole (PubChem CID 118857309) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole
PubChem CID118857309
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole
SMILESCc1cccc(C)c1N1C=COC1(C)C
InChIInChI=1S/C13H17NO/c1-10-6-5-7-11(2)12(10)14-8-9-15-13(14,3)4/h5-9H,1-4H3
InChIKeyBOOXKLIHRGJGML-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane
CID 145026815
1,3-bis(2,6-dimethylphenyl)-2H-imidazole;silver
CID 175743302
1,4,6,9-tetrakis(2,6-dimethylphenyl)-1,4,6,9-tetraza-5-stannaspiro[4.4]nona-2,7-diene
CID 58250004
2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole
CID 143992406
1,2,2,8-tetramethyl-3H-quinolin-4-one
CID 54046594
1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole
CID 102083910
2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole
CID 147973830
1,5,6,10-tetramethylphenazine
CID 20660475
2-[2,6-di(propan-2-yl)phenyl]-1,3,4-trimethyl-1,3,2-benzodiazaborole
CID 166020394
3-(2,6-dimethylphenyl)-6,6-dimethyl-1H-pyrimidine-2-thione
CID 25220146
3-(3,6-dimethyldibenzofuran-4-yl)-1,1,2,2-tetramethylimidazol-1-ium
CID 170207504
CID 177402644
CID 177402644

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole?
The IUPAC name of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole (CID 118857309) is 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole is Cc1cccc(C)c1N1C=COC1(C)C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole?
The InChIKey is BOOXKLIHRGJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-6-5-7-11(2)12(10)14-8-9-15-13(14,3)4/h5-9H,1-4H3.
What are the key properties of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole?
3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole is sourced from PubChem (CID 118857309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).