4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole

C15H21NO — CID 135085832

IUPAC4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole
SMILESCC1(C)COC(CC(C)(C)c2ccccc2)=N1
InChIInChI=1S/C15H21NO/c1-14(2,12-8-6-5-7-9-12)10-13-16-15(3,4)11-17-13/h5-9H,10-11H2,1-4H3
InChIKeyXUFMEFMLZNSAQL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.56
Rot. Bonds3

About 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole

4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole (PubChem CID 135085832) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole
PubChem CID135085832
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole
SMILESCC1(C)COC(CC(C)(C)c2ccccc2)=N1
InChIInChI=1S/C15H21NO/c1-14(2,12-8-6-5-7-9-12)10-13-16-15(3,4)11-17-13/h5-9H,10-11H2,1-4H3
InChIKeyXUFMEFMLZNSAQL-UHFFFAOYSA-N
XLogP3.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.56
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-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
AG-H-02521
CID 5325154
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
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-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
Vinylbenzyloxazoline
CID 69039732
2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole (CID 135085832) is 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole is CC1(C)COC(CC(C)(C)c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole?
The InChIKey is XUFMEFMLZNSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2,12-8-6-5-7-9-12)10-13-16-15(3,4)11-17-13/h5-9H,10-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methyl-2-phenylpropyl)-5H-1,3-oxazole is sourced from PubChem (CID 135085832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).