[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

C24H27N3O3S — CID 42292261

IUPAC[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCSc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCc2ccccn2)no1
InChIInChI=1S/C24H27N3O3S/c1-31-23-11-3-2-10-22(23)29-17-20-16-21(26-30-20)24(28)27-15-7-5-9-19(27)13-12-18-8-4-6-14-25-18/h2-4,6,8,10-11,14,16,19H,5,7,9,12-13,15,17H2,1H3/t19-/m0/s1
InChIKeyYNTWWPVZERXGLW-IBGZPJMESA-N
MW437.57 g/mol
LogP5.00
Rot. Bonds8

About [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 42292261) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
PubChem CID42292261
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCSc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCc2ccccn2)no1
InChIInChI=1S/C24H27N3O3S/c1-31-23-11-3-2-10-22(23)29-17-20-16-21(26-30-20)24(28)27-15-7-5-9-19(27)13-12-18-8-4-6-14-25-18/h2-4,6,8,10-11,14,16,19H,5,7,9,12-13,15,17H2,1H3/t19-/m0/s1
InChIKeyYNTWWPVZERXGLW-IBGZPJMESA-N
XLogP5.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 45170984
[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95226044
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 25379228
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389
(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726
[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
[2-(2-hydroxypropyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 79548607
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42190643
[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 95209444
N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 24817144
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97148857

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (CID 42292261) is [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is CSc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCc2ccccn2)no1.
What is the InChIKey of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is YNTWWPVZERXGLW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-31-23-11-3-2-10-22(23)29-17-20-16-21(26-30-20)24(28)27-15-7-5-9-19(27)13-12-18-8-4-6-14-25-18/h2-4,6,8,10-11,14,16,19H,5,7,9,12-13,15,17H2,1H3/t19-/m0/s1.
What are the key properties of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 437.57 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42292261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).