3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one

C19H19F3N2O3 — CID 122247607

IUPAC3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-6-2-13(3-7-15)4-9-18(25)24-11-16(12-24)27-17-8-5-14(10-23-17)19(20,21)22/h2-3,5-8,10,16H,4,9,11-12H2,1H3
InChIKeyWYGZCNVGCAIFRN-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.33
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one (PubChem CID 122247607) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
PubChem CID122247607
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-6-2-13(3-7-15)4-9-18(25)24-11-16(12-24)27-17-8-5-14(10-23-17)19(20,21)22/h2-3,5-8,10,16H,4,9,11-12H2,1H3
InChIKeyWYGZCNVGCAIFRN-UHFFFAOYSA-N
XLogP3.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122243164
2-(4-methoxyphenyl)-1-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]ethanone
CID 75367643
3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247581
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
(3,4,5-triethoxyphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247512
5-(4-methoxyphenyl)-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile
CID 86982002
3-[4-(difluoromethoxy)phenyl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 78848115
(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide
CID 117054585
thiophen-3-yl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247644
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one (CID 122247607) is 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
The InChIKey is WYGZCNVGCAIFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-26-15-6-2-13(3-7-15)4-9-18(25)24-11-16(12-24)27-17-8-5-14(10-23-17)19(20,21)22/h2-3,5-8,10,16H,4,9,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one has a molecular weight of 380.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 122247607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).