2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

C15H17N3O3S — CID 865878

IUPAC2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2O)o1)N1CCCCC1
InChIInChI=1S/C15H17N3O3S/c19-12-7-3-2-6-11(12)14-16-17-15(21-14)22-10-13(20)18-8-4-1-5-9-18/h2-3,6-7,19H,1,4-5,8-10H2
InChIKeyATSAAFXONHKPNI-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.55
Rot. Bonds4

About 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 865878) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
PubChem CID865878
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2O)o1)N1CCCCC1
InChIInChI=1S/C15H17N3O3S/c19-12-7-3-2-6-11(12)14-16-17-15(21-14)22-10-13(20)18-8-4-1-5-9-18/h2-3,6-7,19H,1,4-5,8-10H2
InChIKeyATSAAFXONHKPNI-UHFFFAOYSA-N
XLogP2.55
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 300765
2-[5-(2,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 651718
N-Cyclohexyl-2-[5-(2-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 856393
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 865292
3-{[5-(4-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one
CID 1942959
2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(2-methyl-piperidin-1-yl)-ethanone
CID 3181384
2,5-Bis(2-hydroxyphenyl)-1,3,4-oxadiazole
CID 200672
2-[5-(2,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 645460
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[5-(2-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 645811
1-({[5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-methylpiperidine
CID 866852
N-cyclohexyl-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2155708
2-[[5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 2962916

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone (CID 865878) is 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone is O=C(CSc1nnc(-c2ccccc2O)o1)N1CCCCC1.
What is the InChIKey of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is ATSAAFXONHKPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-12-7-3-2-6-11(12)14-16-17-15(21-14)22-10-13(20)18-8-4-1-5-9-18/h2-3,6-7,19H,1,4-5,8-10H2.
What are the key properties of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 319.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 865878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).