[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone

C18H22N2O3S — CID 25379228

IUPAC[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCSc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](C)C2)no1
InChIInChI=1S/C18H22N2O3S/c1-13-6-5-9-20(11-13)18(21)15-10-14(23-19-15)12-22-16-7-3-4-8-17(16)24-2/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyBCUJGALTCWGBHZ-CYBMUJFWSA-N
MW346.45 g/mol
LogP3.85
Rot. Bonds5

About [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone

[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 25379228) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID25379228
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCSc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](C)C2)no1
InChIInChI=1S/C18H22N2O3S/c1-13-6-5-9-20(11-13)18(21)15-10-14(23-19-15)12-22-16-7-3-4-8-17(16)24-2/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyBCUJGALTCWGBHZ-CYBMUJFWSA-N
XLogP3.85
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42190643
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 24791786
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 24817225
(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381953
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 26392318
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 51600569
N'-hydroxy-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboximidamide
CID 77113549

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 25379228) is [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone is CSc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](C)C2)no1.
What is the InChIKey of [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is BCUJGALTCWGBHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-6-5-9-20(11-13)18(21)15-10-14(23-19-15)12-22-16-7-3-4-8-17(16)24-2/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 25379228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).