2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole

C17H26N2O2 — CID 164637616

IUPAC2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole
SMILESc1coc(C2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)n1
InChIInChI=1S/C17H26N2O2/c1-2-7-17(6-1)8-3-15(21-17)13-19-10-4-14(5-11-19)16-18-9-12-20-16/h9,12,14-15H,1-8,10-11,13H2/t15-/m1/s1
InChIKeyPEUVZGWILZBGJL-OAHLLOKOSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds3

About 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole

2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole (PubChem CID 164637616) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole
PubChem CID164637616
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole
SMILESc1coc(C2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)n1
InChIInChI=1S/C17H26N2O2/c1-2-7-17(6-1)8-3-15(21-17)13-19-10-4-14(5-11-19)16-18-9-12-20-16/h9,12,14-15H,1-8,10-11,13H2/t15-/m1/s1
InChIKeyPEUVZGWILZBGJL-OAHLLOKOSA-N
XLogP3.35
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole (CID 164637616) is 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole is c1coc(C2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)n1.
What is the InChIKey of 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole?
The InChIKey is PEUVZGWILZBGJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-7-17(6-1)8-3-15(21-17)13-19-10-4-14(5-11-19)16-18-9-12-20-16/h9,12,14-15H,1-8,10-11,13H2/t15-/m1/s1.
What are the key properties of 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole?
2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole has a molecular weight of 290.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 164637616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).