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

C10H11F3N2O4 — CID 78990290

IUPAC2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1noc(C)c1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c1-5-8(6(2)19-14-5)9(18)15(3-7(16)17)4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyDPNKJFLMWFHNLI-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.38
Rot. Bonds4

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

2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990290) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990290
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1noc(C)c1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c1-5-8(6(2)19-14-5)9(18)15(3-7(16)17)4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyDPNKJFLMWFHNLI-UHFFFAOYSA-N
XLogP1.38
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990290) is 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1noc(C)c1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DPNKJFLMWFHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-5-8(6(2)19-14-5)9(18)15(3-7(16)17)4-10(11,12)13/h3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 280.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).