2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H13F3N2O4 — CID 79258205

IUPAC2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCc1cc(CN(CC(=O)O)CC(F)(F)F)no1
InChIInChI=1S/C10H13F3N2O4/c1-18-5-8-2-7(14-19-8)3-15(4-9(16)17)6-10(11,12)13/h2H,3-6H2,1H3,(H,16,17)
InChIKeyCDQIXJZKQYVEQX-UHFFFAOYSA-N
MW282.22 g/mol
LogP1.27
Rot. Bonds7

About 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258205) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258205
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCc1cc(CN(CC(=O)O)CC(F)(F)F)no1
InChIInChI=1S/C10H13F3N2O4/c1-18-5-8-2-7(14-19-8)3-15(4-9(16)17)6-10(11,12)13/h2H,3-6H2,1H3,(H,16,17)
InChIKeyCDQIXJZKQYVEQX-UHFFFAOYSA-N
XLogP1.27
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258205) is 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid is COCc1cc(CN(CC(=O)O)CC(F)(F)F)no1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CDQIXJZKQYVEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c1-18-5-8-2-7(14-19-8)3-15(4-9(16)17)6-10(11,12)13/h2H,3-6H2,1H3,(H,16,17).
What are the key properties of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.22 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).