2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone

C15H19NO3 — CID 141336807

IUPAC2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
SMILESO=C(CC1CCCO1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C15H19NO3/c17-15(9-13-7-4-8-18-13)16-10-14(11-16)19-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChIKeyIRQHRULPADFIPP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds4

About 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone

2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone (PubChem CID 141336807) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
PubChem CID141336807
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
SMILESO=C(CC1CCCO1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C15H19NO3/c17-15(9-13-7-4-8-18-13)16-10-14(11-16)19-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChIKeyIRQHRULPADFIPP-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 71975296
2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342630
1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 124588553
2-[(2S)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342629
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91797351
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
4-(azepan-1-yl)-1-(3-phenoxyazetidin-1-yl)butan-1-one
CID 90652343
N'-methyl-N-(oxolan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427130
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone (CID 141336807) is 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone is O=C(CC1CCCO1)N1CC(Oc2ccccc2)C1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone?
The InChIKey is IRQHRULPADFIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(9-13-7-4-8-18-13)16-10-14(11-16)19-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2.
What are the key properties of 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone?
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone is sourced from PubChem (CID 141336807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).