3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid

C10H11F3N2O5 — CID 79795906

IUPAC3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCc1cc(C(=O)NC(C)(C(=O)O)C(F)(F)F)no1
InChIInChI=1S/C10H11F3N2O5/c1-9(8(17)18,10(11,12)13)14-7(16)6-3-5(4-19-2)20-15-6/h3H,4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyUOUPXOINVSEENC-UHFFFAOYSA-N
MW296.20 g/mol
LogP0.96
Rot. Bonds5

About 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 79795906) has the molecular formula C10H11F3N2O5 and a molecular weight of 296.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID79795906
Molecular FormulaC10H11F3N2O5
Molecular Weight296.20 g/mol
Exact Mass296.06
IUPAC Name3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCc1cc(C(=O)NC(C)(C(=O)O)C(F)(F)F)no1
InChIInChI=1S/C10H11F3N2O5/c1-9(8(17)18,10(11,12)13)14-7(16)6-3-5(4-19-2)20-15-6/h3H,4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyUOUPXOINVSEENC-UHFFFAOYSA-N
XLogP0.96
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid (CID 79795906) is 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid is COCc1cc(C(=O)NC(C)(C(=O)O)C(F)(F)F)no1.
What is the InChIKey of 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is UOUPXOINVSEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O5/c1-9(8(17)18,10(11,12)13)14-7(16)6-3-5(4-19-2)20-15-6/h3H,4H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 296.20 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79795906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).