methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate

C13H20N2O5 — CID 43408782

IUPACmethyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COc1cc(C)on1
InChIInChI=1S/C13H20N2O5/c1-8(2)5-10(13(17)18-4)14-11(16)7-19-12-6-9(3)20-15-12/h6,8,10H,5,7H2,1-4H3,(H,14,16)
InChIKeyTUYBGGFJDPLTMK-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.07
Rot. Bonds7

About methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate (PubChem CID 43408782) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate
PubChem CID43408782
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COc1cc(C)on1
InChIInChI=1S/C13H20N2O5/c1-8(2)5-10(13(17)18-4)14-11(16)7-19-12-6-9(3)20-15-12/h6,8,10H,5,7H2,1-4H3,(H,14,16)
InChIKeyTUYBGGFJDPLTMK-UHFFFAOYSA-N
XLogP1.07
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate (CID 43408782) is methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)COc1cc(C)on1.
What is the InChIKey of methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate?
The InChIKey is TUYBGGFJDPLTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-8(2)5-10(13(17)18-4)14-11(16)7-19-12-6-9(3)20-15-12/h6,8,10H,5,7H2,1-4H3,(H,14,16).
What are the key properties of methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate has a molecular weight of 284.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoate is sourced from PubChem (CID 43408782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).