N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide

C15H18F3N3O3 — CID 139028928

IUPACN-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)13-6-10(3-4-19-13)24-12-8-21(9-12)14(22)20-7-11-2-1-5-23-11/h3-4,6,11-12H,1-2,5,7-9H2,(H,20,22)
InChIKeyJLDSJYRMCBENRX-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.05
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide

N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 139028928) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID139028928
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)13-6-10(3-4-19-13)24-12-8-21(9-12)14(22)20-7-11-2-1-5-23-11/h3-4,6,11-12H,1-2,5,7-9H2,(H,20,22)
InChIKeyJLDSJYRMCBENRX-UHFFFAOYSA-N
XLogP2.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 139027827
N-(oxolan-2-ylmethyl)-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]pyrrolidine-1-carboxamide
CID 154581410
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530729
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 172905081
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide (CID 139028928) is N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide is O=C(NCC1CCCO1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is JLDSJYRMCBENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)13-6-10(3-4-19-13)24-12-8-21(9-12)14(22)20-7-11-2-1-5-23-11/h3-4,6,11-12H,1-2,5,7-9H2,(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide?
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 139028928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).