[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone

C18H17N3O4 — CID 176989292

IUPAC[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
SMILESC[C@H]1[C@@H](O)CN1C(=O)c1coc(Cc2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C18H17N3O4/c1-11-15(22)9-21(11)18(23)14-10-24-17(19-14)8-13-7-16(25-20-13)12-5-3-2-4-6-12/h2-7,10-11,15,22H,8-9H2,1H3/t11-,15-/m0/s1
InChIKeyZLEIXIWLQONMTK-NHYWBVRUSA-N
MW339.35 g/mol
LogP2.13
Rot. Bonds4

About [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone

[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 176989292) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID176989292
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
SMILESC[C@H]1[C@@H](O)CN1C(=O)c1coc(Cc2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C18H17N3O4/c1-11-15(22)9-21(11)18(23)14-10-24-17(19-14)8-13-7-16(25-20-13)12-5-3-2-4-6-12/h2-7,10-11,15,22H,8-9H2,1H3/t11-,15-/m0/s1
InChIKeyZLEIXIWLQONMTK-NHYWBVRUSA-N
XLogP2.13
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989440
[(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
(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989357
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158157
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91956917

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(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) is [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone is C[C@H]1[C@@H](O)CN1C(=O)c1coc(Cc2cc(-c3ccccc3)on2)n1.
What is the InChIKey of [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is ZLEIXIWLQONMTK-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-15(22)9-21(11)18(23)14-10-24-17(19-14)8-13-7-16(25-20-13)12-5-3-2-4-6-12/h2-7,10-11,15,22H,8-9H2,1H3/t11-,15-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone?
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 339.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 176989292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).