4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole

C15H16F3NO — CID 10779326

IUPAC4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(Cc2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C15H16F3NO/c1-14(2,3)13-19-11(12(20-13)15(16,17)18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyXAKSEZCSNICULG-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.58
Rot. Bonds2

About 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole

4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 10779326) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID10779326
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(Cc2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C15H16F3NO/c1-14(2,3)13-19-11(12(20-13)15(16,17)18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyXAKSEZCSNICULG-UHFFFAOYSA-N
XLogP4.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole (CID 10779326) is 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole is CC(C)(C)c1nc(Cc2ccccc2)c(C(F)(F)F)o1.
What is the InChIKey of 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is XAKSEZCSNICULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-14(2,3)13-19-11(12(20-13)15(16,17)18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole?
4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 283.29 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 10779326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).