4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole

C15H21NO — CID 22949524

IUPAC4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole
SMILESCc1cc(CC2=NC(C)(C)CO2)cc(C)c1C
InChIInChI=1S/C15H21NO/c1-10-6-13(7-11(2)12(10)3)8-14-16-15(4,5)9-17-14/h6-7H,8-9H2,1-5H3
InChIKeyHJXDEJHDDWZNDB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.36
Rot. Bonds2

About 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole

4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole (PubChem CID 22949524) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole
PubChem CID22949524
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole
SMILESCc1cc(CC2=NC(C)(C)CO2)cc(C)c1C
InChIInChI=1S/C15H21NO/c1-10-6-13(7-11(2)12(10)3)8-14-16-15(4,5)9-17-14/h6-7H,8-9H2,1-5H3
InChIKeyHJXDEJHDDWZNDB-UHFFFAOYSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
CID 134855092
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-Naphthylmethyl-2-oxazoline
CID 171115242
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
2-[1-(2,2',4'-Trifluoro-4-biphenylyl)ethyl]-4,4-dimethyl-2-oxazoline
CID 21406752
2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 58167758
2-(2-Ethyl-6-methyl-4-trifluoromethyl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole
CID 58381263
2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 59875260
(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 143728738

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole (CID 22949524) is 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole is Cc1cc(CC2=NC(C)(C)CO2)cc(C)c1C.
What is the InChIKey of 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole?
The InChIKey is HJXDEJHDDWZNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-6-13(7-11(2)12(10)3)8-14-16-15(4,5)9-17-14/h6-7H,8-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole is sourced from PubChem (CID 22949524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).