ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate

C18H27N3O5 — CID 70749346

IUPACethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCCC3(CCC(=O)N(CCCO)C3)C2)n1
InChIInChI=1S/C18H27N3O5/c1-2-25-16(24)14-11-26-17(19-14)21-8-3-6-18(13-21)7-5-15(23)20(12-18)9-4-10-22/h11,22H,2-10,12-13H2,1H3
InChIKeyOWNLLOBWDNWJIC-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate (PubChem CID 70749346) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate
PubChem CID70749346
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Nameethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCCC3(CCC(=O)N(CCCO)C3)C2)n1
InChIInChI=1S/C18H27N3O5/c1-2-25-16(24)14-11-26-17(19-14)21-8-3-6-18(13-21)7-5-15(23)20(12-18)9-4-10-22/h11,22H,2-10,12-13H2,1H3
InChIKeyOWNLLOBWDNWJIC-UHFFFAOYSA-N
XLogP1.44
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate (CID 70749346) is ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCCC3(CCC(=O)N(CCCO)C3)C2)n1.
What is the InChIKey of ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is OWNLLOBWDNWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-2-25-16(24)14-11-26-17(19-14)21-8-3-6-18(13-21)7-5-15(23)20(12-18)9-4-10-22/h11,22H,2-10,12-13H2,1H3.
What are the key properties of ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70749346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).