[(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

C16H16N6O3 — CID 176989223

IUPAC[(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
SMILESC[C@H]1[C@@H](O)CN1C(=O)c1coc(Cc2ccc(-n3cncn3)cn2)n1
InChIInChI=1S/C16H16N6O3/c1-10-14(23)6-21(10)16(24)13-7-25-15(20-13)4-11-2-3-12(5-18-11)22-9-17-8-19-22/h2-3,5,7-10,14,23H,4,6H2,1H3/t10-,14-/m0/s1
InChIKeyILJVWXYNPGRJQA-HZMBPMFUSA-N
MW340.34 g/mol
LogP0.45
Rot. Bonds4

About [(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

[(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 (PubChem CID 176989223) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID176989223
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name[(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
SMILESC[C@H]1[C@@H](O)CN1C(=O)c1coc(Cc2ccc(-n3cncn3)cn2)n1
InChIInChI=1S/C16H16N6O3/c1-10-14(23)6-21(10)16(24)13-7-25-15(20-13)4-11-2-3-12(5-18-11)22-9-17-8-19-22/h2-3,5,7-10,14,23H,4,6H2,1H3/t10-,14-/m0/s1
InChIKeyILJVWXYNPGRJQA-HZMBPMFUSA-N
XLogP0.45
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(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 with MolForge

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Related Compounds

[(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
(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989357
[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
[(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
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
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168
[(2S,3S)-3-[[3-hydroxy-1-[2-[[6-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]methoxy]-2-methylazetidin-1-yl]-[2-[[6-(triazol-2-yl)pyridazin-3-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989319
2-[1-[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]acetic acid
CID 119178892
6-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 119048406
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39651009

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@H]1[C@@H](O)CN1C(=O)c1coc(Cc2ccc(-n3cncn3)cn2)n1.
What is the InChIKey of [(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?
The InChIKey is ILJVWXYNPGRJQA-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-10-14(23)6-21(10)16(24)13-7-25-15(20-13)4-11-2-3-12(5-18-11)22-9-17-8-19-22/h2-3,5,7-10,14,23H,4,6H2,1H3/t10-,14-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 340.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 176989223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).