[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone

C15H19NO4 — CID 96581278

IUPAC[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCOc1ccccc1OC1CN(C(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C15H19NO4/c1-18-13-4-2-3-5-14(13)20-12-8-16(9-12)15(17)11-6-7-19-10-11/h2-5,11-12H,6-10H2,1H3/t11-/m1/s1
InChIKeyNOZRJDCQWNMSAZ-LLVKDONJSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds4

About [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone

[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 96581278) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID96581278
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCOc1ccccc1OC1CN(C(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C15H19NO4/c1-18-13-4-2-3-5-14(13)20-12-8-16(9-12)15(17)11-6-7-19-10-11/h2-5,11-12H,6-10H2,1H3/t11-/m1/s1
InChIKeyNOZRJDCQWNMSAZ-LLVKDONJSA-N
XLogP1.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 100628592
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
CID 86285870
[(3S,4S)-4-[3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 71215282
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 96581278) is [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone is COc1ccccc1OC1CN(C(=O)[C@@H]2CCOC2)C1.
What is the InChIKey of [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is NOZRJDCQWNMSAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-13-4-2-3-5-14(13)20-12-8-16(9-12)15(17)11-6-7-19-10-11/h2-5,11-12H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 277.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 96581278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).