N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

C9H11F3N2O2 — CID 86676496

IUPACN-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C(F)(F)F)on1
InChIInChI=1S/C9H11F3N2O2/c1-5(15)13-7-4-6(16-14-7)8(2,3)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyDMEMPQGMHJDWDJ-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.47
Rot. Bonds2

About N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (PubChem CID 86676496) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
PubChem CID86676496
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC NameN-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C(F)(F)F)on1
InChIInChI=1S/C9H11F3N2O2/c1-5(15)13-7-4-6(16-14-7)8(2,3)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyDMEMPQGMHJDWDJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (CID 86676496) is N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is CC(=O)Nc1cc(C(C)(C)C(F)(F)F)on1.
What is the InChIKey of N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is DMEMPQGMHJDWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5(15)13-7-4-6(16-14-7)8(2,3)9(10,11)12/h4H,1-3H3,(H,13,14,15).
What are the key properties of N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 236.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 86676496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).