2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O4 — CID 106421099

IUPAC2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCc1ccno1
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)5-15(4-7(16)17)8(18)13-3-6-1-2-14-19-6/h1-2H,3-5H2,(H,13,18)(H,16,17)
InChIKeyDEJVPXALJAAPDU-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.83
Rot. Bonds5

About 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106421099) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106421099
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCc1ccno1
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)5-15(4-7(16)17)8(18)13-3-6-1-2-14-19-6/h1-2H,3-5H2,(H,13,18)(H,16,17)
InChIKeyDEJVPXALJAAPDU-UHFFFAOYSA-N
XLogP0.83
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 106421099) is 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCc1ccno1.
What is the InChIKey of 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DEJVPXALJAAPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O4/c10-9(11,12)5-15(4-7(16)17)8(18)13-3-6-1-2-14-19-6/h1-2H,3-5H2,(H,13,18)(H,16,17).
What are the key properties of 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 281.19 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106421099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).