2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H7F3N2O4 — CID 115277855

IUPAC2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccno1
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)4-13(3-6(14)15)7(16)5-1-2-12-17-5/h1-2H,3-4H2,(H,14,15)
InChIKeyKUFLZZQXUFWSIU-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.76
Rot. Bonds4

About 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 115277855) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID115277855
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccno1
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)4-13(3-6(14)15)7(16)5-1-2-12-17-5/h1-2H,3-4H2,(H,14,15)
InChIKeyKUFLZZQXUFWSIU-UHFFFAOYSA-N
XLogP0.76
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 115277855) is 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccno1.
What is the InChIKey of 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KUFLZZQXUFWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4/c9-8(10,11)4-13(3-6(14)15)7(16)5-1-2-12-17-5/h1-2H,3-4H2,(H,14,15).
What are the key properties of 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 252.15 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 115277855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).