[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone

C16H21NO3 — CID 96578519

IUPAC[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESCCc1cccc(OC2CN(C(=O)[C@H]3CCOC3)C2)c1
InChIInChI=1S/C16H21NO3/c1-2-12-4-3-5-14(8-12)20-15-9-17(10-15)16(18)13-6-7-19-11-13/h3-5,8,13,15H,2,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyVRLZQESQSYEEOP-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.88
Rot. Bonds4

About [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone

[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone (PubChem CID 96578519) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
PubChem CID96578519
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESCCc1cccc(OC2CN(C(=O)[C@H]3CCOC3)C2)c1
InChIInChI=1S/C16H21NO3/c1-2-12-4-3-5-14(8-12)20-15-9-17(10-15)16(18)13-6-7-19-11-13/h3-5,8,13,15H,2,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyVRLZQESQSYEEOP-ZDUSSCGKSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96581278
4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110611191
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 77078846
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone (CID 96578519) is [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone.
What is the SMILES notation for [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The canonical SMILES for [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone is CCc1cccc(OC2CN(C(=O)[C@H]3CCOC3)C2)c1.
What is the InChIKey of [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The InChIKey is VRLZQESQSYEEOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12-4-3-5-14(8-12)20-15-9-17(10-15)16(18)13-6-7-19-11-13/h3-5,8,13,15H,2,6-7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone is sourced from PubChem (CID 96578519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).