methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate

C13H18N2O4 — CID 167771922

IUPACmethyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1cnoc1CN1CCOCC2(CC2)C1
InChIInChI=1S/C13H18N2O4/c1-17-12(16)10-6-14-19-11(10)7-15-4-5-18-9-13(8-15)2-3-13/h6H,2-5,7-9H2,1H3
InChIKeyXJEWWYUPCCJTGJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.07
Rot. Bonds3

About methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate

methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate (PubChem CID 167771922) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate
PubChem CID167771922
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1cnoc1CN1CCOCC2(CC2)C1
InChIInChI=1S/C13H18N2O4/c1-17-12(16)10-6-14-19-11(10)7-15-4-5-18-9-13(8-15)2-3-13/h6H,2-5,7-9H2,1H3
InChIKeyXJEWWYUPCCJTGJ-UHFFFAOYSA-N
XLogP1.07
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 136530911
methyl 5-benzyl-1,2-oxazole-4-carboxylate
CID 14787243
N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
CID 155899912
3-ethylsulfonyl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399465
2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 131646910
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 67106461
3-ethylsulfonyl-11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155857687
2-(dimethylamino)-1-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone
CID 97399466
methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
CID 58137671
4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one
CID 136573802
(4-methoxyphenyl)-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694052
(5R)-9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97186800

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate (CID 167771922) is methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate is COC(=O)c1cnoc1CN1CCOCC2(CC2)C1.
What is the InChIKey of methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?
The InChIKey is XJEWWYUPCCJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-12(16)10-6-14-19-11(10)7-15-4-5-18-9-13(8-15)2-3-13/h6H,2-5,7-9H2,1H3.
What are the key properties of methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?
methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 167771922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).