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

C7H8F3N3O4 — CID 68842773

IUPAC4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCc1conc1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H7N3O2.C2HF3O2/c6-1-3-2-10-8-4(3)5(7)9;3-2(4,5)1(6)7/h2H,1,6H2,(H2,7,9);(H,6,7)
InChIKeyOQBXUKLISSLJGP-UHFFFAOYSA-N
MW255.15 g/mol
LogP-0.13
Rot. Bonds2

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

4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68842773) has the molecular formula C7H8F3N3O4 and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68842773
Molecular FormulaC7H8F3N3O4
Molecular Weight255.15 g/mol
Exact Mass255.05
IUPAC Name4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCc1conc1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H7N3O2.C2HF3O2/c6-1-3-2-10-8-4(3)5(7)9;3-2(4,5)1(6)7/h2H,1,6H2,(H2,7,9);(H,6,7)
InChIKeyOQBXUKLISSLJGP-UHFFFAOYSA-N
XLogP-0.13
TPSA132.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 68842773) is 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is NCc1conc1C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OQBXUKLISSLJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.C2HF3O2/c6-1-3-2-10-8-4(3)5(7)9;3-2(4,5)1(6)7/h2H,1,6H2,(H2,7,9);(H,6,7).
What are the key properties of 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 255.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68842773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).