[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C16H18N2O3 — CID 74234486

IUPAC[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cc(C)no3)C2)c1
InChIInChI=1S/C16H18N2O3/c1-3-12-5-4-6-13(8-12)20-14-9-18(10-14)16(19)15-7-11(2)17-21-15/h4-8,14H,3,9-10H2,1-2H3
InChIKeyONIPIIQSSZLZLA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.45
Rot. Bonds4

About [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 74234486) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID74234486
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cc(C)no3)C2)c1
InChIInChI=1S/C16H18N2O3/c1-3-12-5-4-6-13(8-12)20-14-9-18(10-14)16(19)15-7-11(2)17-21-15/h4-8,14H,3,9-10H2,1-2H3
InChIKeyONIPIIQSSZLZLA-UHFFFAOYSA-N
XLogP2.45
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 77078846
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70754674
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56814293
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
[(3S)-3-(2-ethoxyethoxy)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 136580602
1-[3-(3-ethylphenoxy)azetidin-1-yl]-4-(4-methylpiperazin-1-yl)pentan-1-one
CID 70731356
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 26400959

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 74234486) is [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is CCc1cccc(OC2CN(C(=O)c3cc(C)no3)C2)c1.
What is the InChIKey of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ONIPIIQSSZLZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-12-5-4-6-13(8-12)20-14-9-18(10-14)16(19)15-7-11(2)17-21-15/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 74234486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).