2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C16H23NO — CID 135057576

IUPAC2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccc(C(C)(C)C2=NC(C)(C)CO2)c(C)c1
InChIInChI=1S/C16H23NO/c1-11-7-8-13(12(2)9-11)16(5,6)14-17-15(3,4)10-18-14/h7-9H,10H2,1-6H3
InChIKeyJMYBGOINLJREEP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.79
Rot. Bonds2

About 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135057576) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135057576
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccc(C(C)(C)C2=NC(C)(C)CO2)c(C)c1
InChIInChI=1S/C16H23NO/c1-11-7-8-13(12(2)9-11)16(5,6)14-17-15(3,4)10-18-14/h7-9H,10H2,1-6H3
InChIKeyJMYBGOINLJREEP-UHFFFAOYSA-N
XLogP3.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
CID 455266
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
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-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
4,4-Dimethyl-2-tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-4,5-dihydro-1,3-oxazole
CID 1230144
2-(4-(Tert-butyl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 320072
2-(2-tert-Butylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 13184751
Ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
CID 10586589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 135057576) is 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole is Cc1ccc(C(C)(C)C2=NC(C)(C)CO2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JMYBGOINLJREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-7-8-13(12(2)9-11)16(5,6)14-17-15(3,4)10-18-14/h7-9H,10H2,1-6H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135057576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).