2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C14H16F3NO — CID 58167758

IUPAC2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1
InChIInChI=1S/C14H16F3NO/c1-8-5-10(14(15,16)17)6-9(2)11(8)12-18-13(3,4)7-19-12/h5-6H,7H2,1-4H3
InChIKeySMPQOUSBMYSFQV-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.88
Rot. Bonds1

About 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 58167758) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID58167758
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1
InChIInChI=1S/C14H16F3NO/c1-8-5-10(14(15,16)17)6-9(2)11(8)12-18-13(3,4)7-19-12/h5-6H,7H2,1-4H3
InChIKeySMPQOUSBMYSFQV-UHFFFAOYSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 58167758) is 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is SMPQOUSBMYSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-8-5-10(14(15,16)17)6-9(2)11(8)12-18-13(3,4)7-19-12/h5-6H,7H2,1-4H3.
What are the key properties of 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.28 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 58167758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).