(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine

C16H22N2O3 — CID 6598506

IUPAC(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine
SMILESc1cc([C@@H]2OCCN2C[C@H]2COC3(CCCC3)O2)ccn1
InChIInChI=1S/C16H22N2O3/c1-2-6-16(5-1)20-12-14(21-16)11-18-9-10-19-15(18)13-3-7-17-8-4-13/h3-4,7-8,14-15H,1-2,5-6,9-12H2/t14-,15-/m0/s1
InChIKeyWAEWJDZLUOKEQZ-GJZGRUSLSA-N
MW290.36 g/mol
LogP2.10
Rot. Bonds3

About (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine

(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine (PubChem CID 6598506) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine
PubChem CID6598506
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine
SMILESc1cc([C@@H]2OCCN2C[C@H]2COC3(CCCC3)O2)ccn1
InChIInChI=1S/C16H22N2O3/c1-2-6-16(5-1)20-12-14(21-16)11-18-9-10-19-15(18)13-3-7-17-8-4-13/h3-4,7-8,14-15H,1-2,5-6,9-12H2/t14-,15-/m0/s1
InChIKeyWAEWJDZLUOKEQZ-GJZGRUSLSA-N
XLogP2.10
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine?
The IUPAC name of (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine (CID 6598506) is (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine?
The canonical SMILES for (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine is c1cc([C@@H]2OCCN2C[C@H]2COC3(CCCC3)O2)ccn1.
What is the InChIKey of (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine?
The InChIKey is WAEWJDZLUOKEQZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-6-16(5-1)20-12-14(21-16)11-18-9-10-19-15(18)13-3-7-17-8-4-13/h3-4,7-8,14-15H,1-2,5-6,9-12H2/t14-,15-/m0/s1.
What are the key properties of (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine?
(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine has a molecular weight of 290.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine is sourced from PubChem (CID 6598506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).