ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate

C18H28N2O4 — CID 166459026

IUPACethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCCOC(=O)C(c1cc(N2CCC3(CC2)CC(O)C3)no1)C(C)C
InChIInChI=1S/C18H28N2O4/c1-4-23-17(22)16(12(2)3)14-9-15(19-24-14)20-7-5-18(6-8-20)10-13(21)11-18/h9,12-13,16,21H,4-8,10-11H2,1-3H3
InChIKeyOELXEIUXWYCNRC-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.72
Rot. Bonds5

About ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate

ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate (PubChem CID 166459026) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate
PubChem CID166459026
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nameethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCCOC(=O)C(c1cc(N2CCC3(CC2)CC(O)C3)no1)C(C)C
InChIInChI=1S/C18H28N2O4/c1-4-23-17(22)16(12(2)3)14-9-15(19-24-14)20-7-5-18(6-8-20)10-13(21)11-18/h9,12-13,16,21H,4-8,10-11H2,1-3H3
InChIKeyOELXEIUXWYCNRC-UHFFFAOYSA-N
XLogP2.72
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[4-(dimethoxymethyl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoic acid
CID 146316609
methyl 2-[3-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 156720083
ethyl 3-methyl-2-[3-(3-oxopropyl)-1,2-oxazol-5-yl]butanoate
CID 166459338
methyl 2-[3-[4-[[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 168896589
3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid
CID 156885263
ethyl 3-methyl-2-[3-(4-oxocyclohexyl)oxy-1,2-oxazol-5-yl]butanoate
CID 163401175
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-[3-[4-[[4-(3-methylcyclobutyl)oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]butanoyl]pyrrolidine-2-carboxamide
CID 168903234
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
CID 166888751
2-[(1S)-1-(4-cyanophenyl)ethyl]-1-[2-[3-[4-(dimethoxymethyl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169299679
ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate;ethyl 2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate
CID 158866191
3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid
CID 146502080
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate?
The IUPAC name of ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate (CID 166459026) is ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate is CCOC(=O)C(c1cc(N2CCC3(CC2)CC(O)C3)no1)C(C)C.
What is the InChIKey of ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate?
The InChIKey is OELXEIUXWYCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-23-17(22)16(12(2)3)14-9-15(19-24-14)20-7-5-18(6-8-20)10-13(21)11-18/h9,12-13,16,21H,4-8,10-11H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate?
ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate has a molecular weight of 336.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate is sourced from PubChem (CID 166459026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).