1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone

C16H16F3NO2 — CID 45254726

IUPAC1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone
SMILESCC(C)(C)c1nc(C(F)(F)F)oc1C(=O)Cc1ccccc1
InChIInChI=1S/C16H16F3NO2/c1-15(2,3)13-12(22-14(20-13)16(17,18)19)11(21)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyUYMKVIDFPGAYBT-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.42
Rot. Bonds3

About 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone

1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone (PubChem CID 45254726) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone
PubChem CID45254726
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone
SMILESCC(C)(C)c1nc(C(F)(F)F)oc1C(=O)Cc1ccccc1
InChIInChI=1S/C16H16F3NO2/c1-15(2,3)13-12(22-14(20-13)16(17,18)19)11(21)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyUYMKVIDFPGAYBT-UHFFFAOYSA-N
XLogP4.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone?
The IUPAC name of 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone (CID 45254726) is 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone is CC(C)(C)c1nc(C(F)(F)F)oc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone?
The InChIKey is UYMKVIDFPGAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-15(2,3)13-12(22-14(20-13)16(17,18)19)11(21)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone?
1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone has a molecular weight of 311.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-2-phenylethanone is sourced from PubChem (CID 45254726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).