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

C15H23NO — CID 145026815

IUPAC3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane
SMILESCC.Cc1cccc(C)c1N1C=COC1(C)C
InChIInChI=1S/C13H17NO.C2H6/c1-10-6-5-7-11(2)12(10)14-8-9-15-13(14,3)4;1-2/h5-9H,1-4H3;1-2H3
InChIKeyUZDQWYJJOOBBKJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.37
Rot. Bonds1

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

3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane (PubChem CID 145026815) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane
PubChem CID145026815
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane
SMILESCC.Cc1cccc(C)c1N1C=COC1(C)C
InChIInChI=1S/C13H17NO.C2H6/c1-10-6-5-7-11(2)12(10)14-8-9-15-13(14,3)4;1-2/h5-9H,1-4H3;1-2H3
InChIKeyUZDQWYJJOOBBKJ-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole
CID 118857309
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
1',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one;ethane
CID 145125110
ethane;1,2,3-trimethylbenzene
CID 54068667
2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole
CID 147973830
1,5,6,10-tetramethylphenazine
CID 20660475
3-(2,6-dimethylphenyl)-6,6-dimethyl-1H-pyrimidine-2-thione
CID 25220146
2-[2,6-di(propan-2-yl)phenyl]-1,3,4-trimethyl-1,3,2-benzodiazaborole
CID 166020394

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane?
The IUPAC name of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane (CID 145026815) is 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane is CC.Cc1cccc(C)c1N1C=COC1(C)C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane?
The InChIKey is UZDQWYJJOOBBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-10-6-5-7-11(2)12(10)14-8-9-15-13(14,3)4;1-2/h5-9H,1-4H3;1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane?
3-(2,6-dimethylphenyl)-2,2-dimethyl-1,3-oxazole;ethane has a molecular weight of 233.35 g/mol, XLogP of 4.37, 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;ethane is sourced from PubChem (CID 145026815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).