2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H13F3N2O4 — CID 78990361

IUPAC2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1noc(C)c1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c1-3-7-9(6(2)20-15-7)10(19)16(4-8(17)18)5-11(12,13)14/h3-5H2,1-2H3,(H,17,18)
InChIKeyCFIUYNDLFNUQQG-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.63
Rot. Bonds5

About 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990361) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990361
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1noc(C)c1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c1-3-7-9(6(2)20-15-7)10(19)16(4-8(17)18)5-11(12,13)14/h3-5H2,1-2H3,(H,17,18)
InChIKeyCFIUYNDLFNUQQG-UHFFFAOYSA-N
XLogP1.63
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990361) is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1noc(C)c1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CFIUYNDLFNUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-3-7-9(6(2)20-15-7)10(19)16(4-8(17)18)5-11(12,13)14/h3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 294.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).