(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one

C16H13F3N2O3 — CID 122247415

IUPAC(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-3-5-14(20-8-11)24-13-9-21(10-13)15(22)6-4-12-2-1-7-23-12/h1-8,13H,9-10H2/b6-4+
InChIKeyJVWNHGWCKCBHJE-GQCTYLIASA-N
MW338.29 g/mol
LogP3.00
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one (PubChem CID 122247415) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one
PubChem CID122247415
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-3-5-14(20-8-11)24-13-9-21(10-13)15(22)6-4-12-2-1-7-23-12/h1-8,13H,9-10H2/b6-4+
InChIKeyJVWNHGWCKCBHJE-GQCTYLIASA-N
XLogP3.00
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 122249803
(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100752927
(E)-3-(furan-2-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)prop-2-en-1-one
CID 122161040
(E)-3-(furan-2-yl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799170
3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247581
(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100620236
(E)-3-(furan-2-yl)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one
CID 91627002
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
thiophen-3-yl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247644
(E)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 100616007
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
(2-ethylsulfanylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247611

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one (CID 122247415) is (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one?
The InChIKey is JVWNHGWCKCBHJE-GQCTYLIASA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)11-3-5-14(20-8-11)24-13-9-21(10-13)15(22)6-4-12-2-1-7-23-12/h1-8,13H,9-10H2/b6-4+.
What are the key properties of (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 338.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 122247415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).