3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine

C16H23NO3 — CID 171797942

IUPAC3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine
SMILESCCC(CN1CCOC1(C)C)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-4-12(10-17-7-8-20-16(17,2)3)13-5-6-14-15(9-13)19-11-18-14/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyBEPFGJRBAMNKLU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine

3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine (PubChem CID 171797942) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine
PubChem CID171797942
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine
SMILESCCC(CN1CCOC1(C)C)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-4-12(10-17-7-8-20-16(17,2)3)13-5-6-14-15(9-13)19-11-18-14/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyBEPFGJRBAMNKLU-UHFFFAOYSA-N
XLogP2.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine with MolForge

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Related Compounds

5-[(3S)-heptan-3-yl]-1,3-benzodioxole
CID 142262614
4-(1,3-benzodioxol-5-yl)hexan-2-one
CID 11172048
6-(1-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82081024
4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 83922100
1-[(2S,3R)-3-(1,3-benzodioxol-5-yl)pentan-2-yl]azetidine
CID 171532336
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922168
2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine
CID 171797938
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
3-(1,3-benzodioxol-5-yl)-N-methylpentan-2-amine
CID 171532357
3-(1,3-benzodioxol-5-yl)-N-ethyl-6-methylheptan-1-amine
CID 4891899

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine (CID 171797942) is 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine is CCC(CN1CCOC1(C)C)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is BEPFGJRBAMNKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12(10-17-7-8-20-16(17,2)3)13-5-6-14-15(9-13)19-11-18-14/h5-6,9,12H,4,7-8,10-11H2,1-3H3.
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine?
3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 277.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 171797942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).