methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate

C12H18N2O5 — CID 66739535

IUPACmethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(C(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H18N2O5/c1-7(13-11(16)18-12(2,3)4)8-6-9(19-14-8)10(15)17-5/h6-7H,1-5H3,(H,13,16)
InChIKeyARQKOGDPYMHMSH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds3

About methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate

methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate (PubChem CID 66739535) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
PubChem CID66739535
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(C(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H18N2O5/c1-7(13-11(16)18-12(2,3)4)8-6-9(19-14-8)10(15)17-5/h6-7H,1-5H3,(H,13,16)
InChIKeyARQKOGDPYMHMSH-UHFFFAOYSA-N
XLogP2.05
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate (CID 66739535) is methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate is COC(=O)c1cc(C(C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
The InChIKey is ARQKOGDPYMHMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7(13-11(16)18-12(2,3)4)8-6-9(19-14-8)10(15)17-5/h6-7H,1-5H3,(H,13,16).
What are the key properties of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 66739535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).