4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole

C13H12F3NO — CID 142244739

IUPAC4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1cc(-c2nc(C)c(C)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO/c1-7-4-10(6-11(5-7)13(14,15)16)12-17-8(2)9(3)18-12/h4-6H,1-3H3
InChIKeyCCOFYKLAFWUUPN-UHFFFAOYSA-N
MW255.24 g/mol
LogP4.29
Rot. Bonds1

About 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole

4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 142244739) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID142244739
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1cc(-c2nc(C)c(C)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO/c1-7-4-10(6-11(5-7)13(14,15)16)12-17-8(2)9(3)18-12/h4-6H,1-3H3
InChIKeyCCOFYKLAFWUUPN-UHFFFAOYSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dibromophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 58961736
5-[3-methyl-5-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 151625432
4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 102525607
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
(1R)-2,2-dimethyl-1-[5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propan-1-ol;(1S)-2,2-dimethyl-1-[5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propan-1-ol
CID 159221377
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840
9-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octafluoro-10-[3-methyl-5-(trifluoromethyl)phenyl]anthracene
CID 166974251
4-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 96625394
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole (CID 142244739) is 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1cc(-c2nc(C)c(C)o2)cc(C(F)(F)F)c1.
What is the InChIKey of 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is CCOFYKLAFWUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-7-4-10(6-11(5-7)13(14,15)16)12-17-8(2)9(3)18-12/h4-6H,1-3H3.
What are the key properties of 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole?
4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 255.24 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 142244739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).