[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C18H22N2O3 — CID 70718276

IUPAC[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CC(Oc2c(C)cccc2C)C1
InChIInChI=1S/C18H22N2O3/c1-5-15-16(13(4)23-19-15)18(21)20-9-14(10-20)22-17-11(2)7-6-8-12(17)3/h6-8,14H,5,9-10H2,1-4H3
InChIKeyOMBVAHFHOAXOAZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds4

About [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 70718276) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID70718276
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CC(Oc2c(C)cccc2C)C1
InChIInChI=1S/C18H22N2O3/c1-5-15-16(13(4)23-19-15)18(21)20-9-14(10-20)22-17-11(2)7-6-8-12(17)3/h6-8,14H,5,9-10H2,1-4H3
InChIKeyOMBVAHFHOAXOAZ-UHFFFAOYSA-N
XLogP3.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 131930553
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70765790
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914211
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95142810
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone
CID 70768902
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 17191313

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 70718276) is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CC(Oc2c(C)cccc2C)C1.
What is the InChIKey of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is OMBVAHFHOAXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-15-16(13(4)23-19-15)18(21)20-9-14(10-20)22-17-11(2)7-6-8-12(17)3/h6-8,14H,5,9-10H2,1-4H3.
What are the key properties of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 70718276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).