N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C7H8F3N3O2 — CID 110833089

IUPACN-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESNCCNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)5-4(3-15-13-5)6(14)12-2-1-11/h3H,1-2,11H2,(H,12,14)
InChIKeyAMTPHWZOERXLAE-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.38
Rot. Bonds3

About N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 110833089) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID110833089
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC NameN-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESNCCNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)5-4(3-15-13-5)6(14)12-2-1-11/h3H,1-2,11H2,(H,12,14)
InChIKeyAMTPHWZOERXLAE-UHFFFAOYSA-N
XLogP0.38
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 110833089) is N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is NCCNC(=O)c1conc1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is AMTPHWZOERXLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)5-4(3-15-13-5)6(14)12-2-1-11/h3H,1-2,11H2,(H,12,14).
What are the key properties of N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 223.15 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110833089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).