methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate

C11H16N2O5 — CID 11065028

IUPACmethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O5/c1-11(2,3)18-10(15)12-5-8-13-7(6-17-8)9(14)16-4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyLBMUDSGZSJTLCL-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 11065028) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID11065028
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O5/c1-11(2,3)18-10(15)12-5-8-13-7(6-17-8)9(14)16-4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyLBMUDSGZSJTLCL-UHFFFAOYSA-N
XLogP1.49
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate (CID 11065028) is methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is LBMUDSGZSJTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2,3)18-10(15)12-5-8-13-7(6-17-8)9(14)16-4/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11065028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).