4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide

C7H8F3N3O2 — CID 70431346

IUPAC4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1noc(C(F)(F)F)c1N
InChIInChI=1S/C7H8F3N3O2/c1-13(2)6(14)4-3(11)5(15-12-4)7(8,9)10/h11H2,1-2H3
InChIKeyBHEGLHQLCRDXEC-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.98
Rot. Bonds1

About 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide

4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide (PubChem CID 70431346) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide
PubChem CID70431346
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1noc(C(F)(F)F)c1N
InChIInChI=1S/C7H8F3N3O2/c1-13(2)6(14)4-3(11)5(15-12-4)7(8,9)10/h11H2,1-2H3
InChIKeyBHEGLHQLCRDXEC-UHFFFAOYSA-N
XLogP0.98
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-nitro-N-(prop-2-yn-1-yl)isoxazole-3-carboxamide
CID 162666797
1-[4-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 57401199
N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide
CID 162645327
N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864740
1-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)azepane
CID 20864745
N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864746
(5-Methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
CID 20864747
5-Methyl-4-nitro-N-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 20864748
N-(Butan-2-YL)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864749
N,N-diethyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864753
4-amino-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 67264142
4-(aminomethyl)-N,N,5-trimethyl-1,2-oxazole-3-carboxamide
CID 20099065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide (CID 70431346) is 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1noc(C(F)(F)F)c1N.
What is the InChIKey of 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BHEGLHQLCRDXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-13(2)6(14)4-3(11)5(15-12-4)7(8,9)10/h11H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 223.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70431346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).