[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone

C16H15F3N6O3 — CID 176989632

IUPAC[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1coc(Cc2ccc(N3N=CCN3)cn2)n1)N1CC(O)C1C(F)(F)F
InChIInChI=1S/C16H15F3N6O3/c17-16(18,19)14-12(26)7-24(14)15(27)11-8-28-13(23-11)5-9-1-2-10(6-20-9)25-21-3-4-22-25/h1-3,6,8,12,14,22,26H,4-5,7H2
InChIKeyHJLKYPCEWXGJMW-UHFFFAOYSA-N
MW396.33 g/mol
LogP0.72
Rot. Bonds4

About [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone

[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 176989632) has the molecular formula C16H15F3N6O3 and a molecular weight of 396.33 g/mol. Its IUPAC name is [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID176989632
Molecular FormulaC16H15F3N6O3
Molecular Weight396.33 g/mol
Exact Mass396.12
IUPAC Name[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1coc(Cc2ccc(N3N=CCN3)cn2)n1)N1CC(O)C1C(F)(F)F
InChIInChI=1S/C16H15F3N6O3/c17-16(18,19)14-12(26)7-24(14)15(27)11-8-28-13(23-11)5-9-1-2-10(6-20-9)25-21-3-4-22-25/h1-3,6,8,12,14,22,26H,4-5,7H2
InChIKeyHJLKYPCEWXGJMW-UHFFFAOYSA-N
XLogP0.72
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone with MolForge

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Related Compounds

[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989223
[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989467
[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989280
N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide
CID 176989202
(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989357
N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 176989599
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989292
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3-oxazol-4-yl]-[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]methanone
CID 176989476
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989440
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989676
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone (CID 176989632) is [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone is O=C(c1coc(Cc2ccc(N3N=CCN3)cn2)n1)N1CC(O)C1C(F)(F)F.
What is the InChIKey of [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is HJLKYPCEWXGJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3/c17-16(18,19)14-12(26)7-24(14)15(27)11-8-28-13(23-11)5-9-1-2-10(6-20-9)25-21-3-4-22-25/h1-3,6,8,12,14,22,26H,4-5,7H2.
What are the key properties of [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone?
[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 396.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 176989632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).