(5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate

C6H3F3N2O4 — CID 90040425

IUPAC(5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate
SMILESNC(=O)c1cnc(OC(=O)C(F)(F)F)o1
InChIInChI=1S/C6H3F3N2O4/c7-6(8,9)4(13)15-5-11-1-2(14-5)3(10)12/h1H,(H2,10,12)
InChIKeyAOWLYVXUDFDQQS-UHFFFAOYSA-N
MW224.09 g/mol
LogP0.24
Rot. Bonds2

About (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate

(5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate (PubChem CID 90040425) has the molecular formula C6H3F3N2O4 and a molecular weight of 224.09 g/mol. Its IUPAC name is (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate
PubChem CID90040425
Molecular FormulaC6H3F3N2O4
Molecular Weight224.09 g/mol
Exact Mass224.00
IUPAC Name(5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate
SMILESNC(=O)c1cnc(OC(=O)C(F)(F)F)o1
InChIInChI=1S/C6H3F3N2O4/c7-6(8,9)4(13)15-5-11-1-2(14-5)3(10)12/h1H,(H2,10,12)
InChIKeyAOWLYVXUDFDQQS-UHFFFAOYSA-N
XLogP0.24
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate (CID 90040425) is (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate is NC(=O)c1cnc(OC(=O)C(F)(F)F)o1.
What is the InChIKey of (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is AOWLYVXUDFDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O4/c7-6(8,9)4(13)15-5-11-1-2(14-5)3(10)12/h1H,(H2,10,12).
What are the key properties of (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate?
(5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 224.09 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 90040425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).