2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone

C6H3F3N2O2 — CID 130388810

IUPAC2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILES[H]/N=C/C(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5-4(3(12)1-10)11-2-13-5/h1-2,10H/b10-1+
InChIKeyHUYBWLQNQBUTNW-BCTAIJSYSA-N
MW192.10 g/mol
LogP1.53
Rot. Bonds2

About 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone

2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 130388810) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID130388810
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILES[H]/N=C/C(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5-4(3(12)1-10)11-2-13-5/h1-2,10H/b10-1+
InChIKeyHUYBWLQNQBUTNW-BCTAIJSYSA-N
XLogP1.53
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone (CID 130388810) is 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone is [H]/N=C/C(=O)c1ncoc1C(F)(F)F.
What is the InChIKey of 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is HUYBWLQNQBUTNW-BCTAIJSYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)5-4(3(12)1-10)11-2-13-5/h1-2,10H/b10-1+.
What are the key properties of 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 192.10 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 130388810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).