3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine

C17H25NO — CID 79452012

IUPAC3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
SMILESc1ccc(CC2(CCCC3CCCO3)CNC2)cc1
InChIInChI=1S/C17H25NO/c1-2-6-15(7-3-1)12-17(13-18-14-17)10-4-8-16-9-5-11-19-16/h1-3,6-7,16,18H,4-5,8-14H2
InChIKeyUBRQILGUJXSGBD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.17
Rot. Bonds6

About 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine

3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine (PubChem CID 79452012) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine.

Molecular Properties

Compound Name3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
PubChem CID79452012
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
SMILESc1ccc(CC2(CCCC3CCCO3)CNC2)cc1
InChIInChI=1S/C17H25NO/c1-2-6-15(7-3-1)12-17(13-18-14-17)10-4-8-16-9-5-11-19-16/h1-3,6-7,16,18H,4-5,8-14H2
InChIKeyUBRQILGUJXSGBD-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 20531619
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
3-fluoro-3-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 112564234
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
3-(oxolan-2-ylmethyl)-3-propylazetidine
CID 79451538
(5R)-5-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 99827374
5-methyl-3-[2-(oxolan-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 86806014
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine?
The IUPAC name of 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine (CID 79452012) is 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine.
What is the SMILES notation for 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine?
The canonical SMILES for 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine is c1ccc(CC2(CCCC3CCCO3)CNC2)cc1.
What is the InChIKey of 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine?
The InChIKey is UBRQILGUJXSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-6-15(7-3-1)12-17(13-18-14-17)10-4-8-16-9-5-11-19-16/h1-3,6-7,16,18H,4-5,8-14H2.
What are the key properties of 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine?
3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine has a molecular weight of 259.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine is sourced from PubChem (CID 79452012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).