2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H15F2NO — CID 59875260

IUPAC2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(F)c(C)c(F)c1C1=NC(C)(C)CO1
InChIInChI=1S/C13H15F2NO/c1-7-5-9(14)8(2)11(15)10(7)12-16-13(3,4)6-17-12/h5H,6H2,1-4H3
InChIKeyIPBXTVGYXVKERR-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.14
Rot. Bonds1

About 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 59875260) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID59875260
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(F)c(C)c(F)c1C1=NC(C)(C)CO1
InChIInChI=1S/C13H15F2NO/c1-7-5-9(14)8(2)11(15)10(7)12-16-13(3,4)6-17-12/h5H,6H2,1-4H3
InChIKeyIPBXTVGYXVKERR-UHFFFAOYSA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-(2,6-Difluorophenyl)-4-(2-methyl-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008036
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
4,4-dimethyl-2-(4-methylphenyl)-5H-1,3-oxazole
CID 3694980
4,4-Dimethyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 10487889
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
2-(4-Trifluoromethylphenyl)-4,4-dimethyl-4,5-dihydro-oxazole
CID 10263798
2-(2-Fluorophenyl)-4,4-dimethyl-2-oxazoline
CID 10888794

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 59875260) is 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(F)c(C)c(F)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is IPBXTVGYXVKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-7-5-9(14)8(2)11(15)10(7)12-16-13(3,4)6-17-12/h5H,6H2,1-4H3.
What are the key properties of 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 239.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3,6-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 59875260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).