5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C10H11F3N2O3 — CID 55010676

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN(CC(F)(F)F)C2CC2)on1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)5-15(6-1-2-6)4-7-3-8(9(16)17)14-18-7/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeyNDXISSJMYZGUKO-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.90
Rot. Bonds5

About 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 55010676) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID55010676
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN(CC(F)(F)F)C2CC2)on1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)5-15(6-1-2-6)4-7-3-8(9(16)17)14-18-7/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeyNDXISSJMYZGUKO-UHFFFAOYSA-N
XLogP1.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((Dimethylamino)methyl)-1,2-oxazole-3-carboxylic acid hydrochloride
CID 71757866
5-[(4-Methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid hydrochloride
CID 75480761
5-((Piperidin-1-yl)methyl)-1,2-oxazole-3-carboxylic acid hydrochloride
CID 119031854
5-(Aminomethyl)-1,2-oxazole-3-carboxylic acid
CID 20098809
5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid
CID 7144513
5-((Dimethylamino)methyl)isoxazole-3-carboxylic acid
CID 20099154
5-((4-Methylpiperazin-1-yl)methyl)isoxazole-3-carboxylic acid
CID 23006304
5-(Aminomethyl)-1,2-oxazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 24839854
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010822
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010916
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010921
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397862

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 55010676) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CN(CC(F)(F)F)C2CC2)on1.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NDXISSJMYZGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)5-15(6-1-2-6)4-7-3-8(9(16)17)14-18-7/h3,6H,1-2,4-5H2,(H,16,17).
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 55010676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).