(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone

C16H16N2O2 — CID 122247097

IUPAC(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC(Oc3ccccn3)C2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-5-7-13(8-6-12)16(19)18-10-14(11-18)20-15-4-2-3-9-17-15/h2-9,14H,10-11H2,1H3
InChIKeyXTTRYLXXCTVYHS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds3

About (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone

(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122247097) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
PubChem CID122247097
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC(Oc3ccccn3)C2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-5-7-13(8-6-12)16(19)18-10-14(11-18)20-15-4-2-3-9-17-15/h2-9,14H,10-11H2,1H3
InChIKeyXTTRYLXXCTVYHS-UHFFFAOYSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
CID 167875360
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247042
(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 122247141
(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247268
[3-(2-tert-butylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 126490501
2-(2-methylphenoxy)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247163
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
(4-methylphenyl)-[(7S)-7-pyrimidin-2-yloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124819469

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone (CID 122247097) is (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone is Cc1ccc(C(=O)N2CC(Oc3ccccn3)C2)cc1.
What is the InChIKey of (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is XTTRYLXXCTVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-5-7-13(8-6-12)16(19)18-10-14(11-18)20-15-4-2-3-9-17-15/h2-9,14H,10-11H2,1H3.
What are the key properties of (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122247097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).