methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate

C16H15F3N2O5 — CID 25385349

IUPACmethyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N2O5/c1-9(15(23)24-2)20-14(22)12-7-26-13(21-12)8-25-11-5-3-4-10(6-11)16(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,22)/t9-/m1/s1
InChIKeyRYAHNELXFUIHIL-SECBINFHSA-N
MW372.30 g/mol
LogP2.56
Rot. Bonds6

About methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate

methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate (PubChem CID 25385349) has the molecular formula C16H15F3N2O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate
PubChem CID25385349
Molecular FormulaC16H15F3N2O5
Molecular Weight372.30 g/mol
Exact Mass372.09
IUPAC Namemethyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N2O5/c1-9(15(23)24-2)20-14(22)12-7-26-13(21-12)8-25-11-5-3-4-10(6-11)16(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,22)/t9-/m1/s1
InChIKeyRYAHNELXFUIHIL-SECBINFHSA-N
XLogP2.56
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate (CID 25385349) is methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
The InChIKey is RYAHNELXFUIHIL-SECBINFHSA-N. The full InChI is InChI=1S/C16H15F3N2O5/c1-9(15(23)24-2)20-14(22)12-7-26-13(21-12)8-25-11-5-3-4-10(6-11)16(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,22)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate has a molecular weight of 372.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 25385349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).