methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate

C9H9F3N2O4 — CID 3408517

IUPACmethyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-4-14-6(7(18-4)9(10,11)12)8(16)13-3-5(15)17-2/h3H2,1-2H3,(H,13,16)
InChIKeyLPPYFTJESGJCEL-UHFFFAOYSA-N
MW266.17 g/mol
LogP0.90
Rot. Bonds3

About methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate

methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate (PubChem CID 3408517) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate
PubChem CID3408517
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Namemethyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c1-4-14-6(7(18-4)9(10,11)12)8(16)13-3-5(15)17-2/h3H2,1-2H3,(H,13,16)
InChIKeyLPPYFTJESGJCEL-UHFFFAOYSA-N
XLogP0.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate (CID 3408517) is methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate?
The InChIKey is LPPYFTJESGJCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c1-4-14-6(7(18-4)9(10,11)12)8(16)13-3-5(15)17-2/h3H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate?
methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate has a molecular weight of 266.17 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 3408517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).