(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone

C17H17N5O3 — CID 176989357

IUPAC(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC1C(O)CN1C(=O)c1coc(Cc2ccc(-c3cn[nH]c3)nc2)n1
InChIInChI=1S/C17H17N5O3/c1-10-15(23)8-22(10)17(24)14-9-25-16(21-14)4-11-2-3-13(18-5-11)12-6-19-20-7-12/h2-3,5-7,9-10,15,23H,4,8H2,1H3,(H,19,20)
InChIKeyFSTUSDCHYQYKQA-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.26
Rot. Bonds4

About (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone

(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 176989357) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID176989357
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC1C(O)CN1C(=O)c1coc(Cc2ccc(-c3cn[nH]c3)nc2)n1
InChIInChI=1S/C17H17N5O3/c1-10-15(23)8-22(10)17(24)14-9-25-16(21-14)4-11-2-3-13(18-5-11)12-6-19-20-7-12/h2-3,5-7,9-10,15,23H,4,8H2,1H3,(H,19,20)
InChIKeyFSTUSDCHYQYKQA-UHFFFAOYSA-N
XLogP1.26
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[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-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989292
[(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
[(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
[(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
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168
[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
CID 118963702
[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989467
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740302

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone (CID 176989357) is (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone is CC1C(O)CN1C(=O)c1coc(Cc2ccc(-c3cn[nH]c3)nc2)n1.
What is the InChIKey of (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is FSTUSDCHYQYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-15(23)8-22(10)17(24)14-9-25-16(21-14)4-11-2-3-13(18-5-11)12-6-19-20-7-12/h2-3,5-7,9-10,15,23H,4,8H2,1H3,(H,19,20).
What are the key properties of (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 176989357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).