3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine

C18H25NO4 — CID 4668228

IUPAC3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1ccc(C2OCCN2CC2COC3(CCCC3)O2)cc1
InChIInChI=1S/C18H25NO4/c1-20-15-6-4-14(5-7-15)17-19(10-11-21-17)12-16-13-22-18(23-16)8-2-3-9-18/h4-7,16-17H,2-3,8-13H2,1H3
InChIKeyKUJTUUZFEUDOAX-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.71
Rot. Bonds4

About 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine

3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine (PubChem CID 4668228) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine
PubChem CID4668228
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1ccc(C2OCCN2CC2COC3(CCCC3)O2)cc1
InChIInChI=1S/C18H25NO4/c1-20-15-6-4-14(5-7-15)17-19(10-11-21-17)12-16-13-22-18(23-16)8-2-3-9-18/h4-7,16-17H,2-3,8-13H2,1H3
InChIKeyKUJTUUZFEUDOAX-UHFFFAOYSA-N
XLogP2.71
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine with MolForge

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Related Compounds

(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine
CID 6598506
(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
CID 7350920
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methoxybenzenesulfonamide
CID 16800178
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 7423716
2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
CID 101429995
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7646088
[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
CID 81218739
1-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-phenylpiperazine
CID 10225976
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 586240
(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 915634

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine?
The IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine (CID 4668228) is 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine is COc1ccc(C2OCCN2CC2COC3(CCCC3)O2)cc1.
What is the InChIKey of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine?
The InChIKey is KUJTUUZFEUDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-20-15-6-4-14(5-7-15)17-19(10-11-21-17)12-16-13-22-18(23-16)8-2-3-9-18/h4-7,16-17H,2-3,8-13H2,1H3.
What are the key properties of 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine?
3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine has a molecular weight of 319.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 4668228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).