2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid

C7H7F3N2O5 — CID 154577366

IUPAC2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNCc1nc(C(=O)O)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O3.C2HF3O2/c6-1-4-7-3(2-10-4)5(8)9;3-2(4,5)1(6)7/h2H,1,6H2,(H,8,9);(H,6,7)
InChIKeyYENYIWZYOYLTKS-UHFFFAOYSA-N
MW256.14 g/mol
LogP0.46
Rot. Bonds2

About 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid

2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 154577366) has the molecular formula C7H7F3N2O5 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID154577366
Molecular FormulaC7H7F3N2O5
Molecular Weight256.14 g/mol
Exact Mass256.03
IUPAC Name2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNCc1nc(C(=O)O)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O3.C2HF3O2/c6-1-4-7-3(2-10-4)5(8)9;3-2(4,5)1(6)7/h2H,1,6H2,(H,8,9);(H,6,7)
InChIKeyYENYIWZYOYLTKS-UHFFFAOYSA-N
XLogP0.46
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 154577366) is 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid is NCc1nc(C(=O)O)co1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YENYIWZYOYLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.C2HF3O2/c6-1-4-7-3(2-10-4)5(8)9;3-2(4,5)1(6)7/h2H,1,6H2,(H,8,9);(H,6,7).
What are the key properties of 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid?
2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 256.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154577366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).