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

C14H22N2O5 — CID 138377036

IUPACethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O5/c1-5-19-12(17)11-10(20-9-16-11)7-6-8-15-13(18)21-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeyOUPODJXUWSOYPB-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.31
Rot. Bonds6

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

ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate (PubChem CID 138377036) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
PubChem CID138377036
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Nameethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O5/c1-5-19-12(17)11-10(20-9-16-11)7-6-8-15-13(18)21-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeyOUPODJXUWSOYPB-UHFFFAOYSA-N
XLogP2.31
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate (CID 138377036) is ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1CCCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?
The InChIKey is OUPODJXUWSOYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-5-19-12(17)11-10(20-9-16-11)7-6-8-15-13(18)21-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,18).
What are the key properties of ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 138377036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).