methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C11H18N2O5 — CID 57121384

IUPACmethyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C(N)C(=O)OC(C)(C)C)=N1
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(15)7(12)8-13-6(5-17-8)9(14)16-4/h6-7H,5,12H2,1-4H3
InChIKeyJVZRCPZOPAUDPQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.37
Rot. Bonds3

About methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 57121384) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID57121384
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C(N)C(=O)OC(C)(C)C)=N1
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(15)7(12)8-13-6(5-17-8)9(14)16-4/h6-7H,5,12H2,1-4H3
InChIKeyJVZRCPZOPAUDPQ-UHFFFAOYSA-N
XLogP-0.37
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 57121384) is methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1COC(C(N)C(=O)OC(C)(C)C)=N1.
What is the InChIKey of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is JVZRCPZOPAUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-10(15)7(12)8-13-6(5-17-8)9(14)16-4/h6-7H,5,12H2,1-4H3.
What are the key properties of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 57121384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).