ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate

C14H19N3O4 — CID 121313979

IUPACethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(N2CCC3(CCNCC3)C2=O)on1
InChIInChI=1S/C14H19N3O4/c1-2-20-12(18)10-9-11(21-16-10)17-8-5-14(13(17)19)3-6-15-7-4-14/h9,15H,2-8H2,1H3
InChIKeyIBHSLBFPOHGAOR-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.96
Rot. Bonds3

About ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 121313979) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID121313979
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(N2CCC3(CCNCC3)C2=O)on1
InChIInChI=1S/C14H19N3O4/c1-2-20-12(18)10-9-11(21-16-10)17-8-5-14(13(17)19)3-6-15-7-4-14/h9,15H,2-8H2,1H3
InChIKeyIBHSLBFPOHGAOR-UHFFFAOYSA-N
XLogP0.96
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate (CID 121313979) is ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(N2CCC3(CCNCC3)C2=O)on1.
What is the InChIKey of ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is IBHSLBFPOHGAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-20-12(18)10-9-11(21-16-10)17-8-5-14(13(17)19)3-6-15-7-4-14/h9,15H,2-8H2,1H3.
What are the key properties of ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 121313979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).