2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H9F3N2O4 — CID 79258050

IUPAC2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1oncc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-5-6(2-13-18-5)8(17)14(3-7(15)16)4-9(10,11)12/h2H,3-4H2,1H3,(H,15,16)
InChIKeyXOSDRAJZNXKXQI-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.07
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258050) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258050
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1oncc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-5-6(2-13-18-5)8(17)14(3-7(15)16)4-9(10,11)12/h2H,3-4H2,1H3,(H,15,16)
InChIKeyXOSDRAJZNXKXQI-UHFFFAOYSA-N
XLogP1.07
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258050) is 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1oncc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XOSDRAJZNXKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c1-5-6(2-13-18-5)8(17)14(3-7(15)16)4-9(10,11)12/h2H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 266.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).