ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate

C13H20N2O5 — CID 4712684

IUPACethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-18-11(16)9-10(19-7-14-9)8(2)15-12(17)20-13(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)
InChIKeyXWMGDDWCHXFLSM-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.44
Rot. Bonds4

About ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate

ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate (PubChem CID 4712684) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
PubChem CID4712684
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-18-11(16)9-10(19-7-14-9)8(2)15-12(17)20-13(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)
InChIKeyXWMGDDWCHXFLSM-UHFFFAOYSA-N
XLogP2.44
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate (CID 4712684) is ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is XWMGDDWCHXFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-6-18-11(16)9-10(19-7-14-9)8(2)15-12(17)20-13(3,4)5/h7-8H,6H2,1-5H3,(H,15,17).
What are the key properties of ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 4712684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).