2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H13F3N2O4 — CID 79261633

IUPAC2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1noc(C)c1CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c1-6-8(7(2)20-15-6)3-9(17)16(4-10(18)19)5-11(12,13)14/h3-5H2,1-2H3,(H,18,19)
InChIKeyAZVSHMNENBWHTC-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.31
Rot. Bonds5

About 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79261633) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79261633
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1noc(C)c1CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c1-6-8(7(2)20-15-6)3-9(17)16(4-10(18)19)5-11(12,13)14/h3-5H2,1-2H3,(H,18,19)
InChIKeyAZVSHMNENBWHTC-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79261633) is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1noc(C)c1CC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AZVSHMNENBWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-6-8(7(2)20-15-6)3-9(17)16(4-10(18)19)5-11(12,13)14/h3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 294.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79261633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).