N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide

C9H11F3N2O2 — CID 91622203

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1cc(NC(=O)C(F)(F)F)no1
InChIInChI=1S/C9H11F3N2O2/c1-8(2,3)5-4-6(14-16-5)13-7(15)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyHHEDMZGTJYRGEY-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.47
Rot. Bonds1

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 91622203) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID91622203
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1cc(NC(=O)C(F)(F)F)no1
InChIInChI=1S/C9H11F3N2O2/c1-8(2,3)5-4-6(14-16-5)13-7(15)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyHHEDMZGTJYRGEY-UHFFFAOYSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide (CID 91622203) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide is CC(C)(C)c1cc(NC(=O)C(F)(F)F)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is HHEDMZGTJYRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-8(2,3)5-4-6(14-16-5)13-7(15)9(10,11)12/h4H,1-3H3,(H,13,14,15).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 236.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91622203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).