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

C15H17N3O2S — CID 15987644

IUPAC2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)no1)N1CCCCC1
InChIInChI=1S/C15H17N3O2S/c19-13(18-9-5-2-6-10-18)11-21-15-16-14(17-20-15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyYGCAOKXEROLOPK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.84
Rot. Bonds4

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

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 15987644) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
PubChem CID15987644
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)no1)N1CCCCC1
InChIInChI=1S/C15H17N3O2S/c19-13(18-9-5-2-6-10-18)11-21-15-16-14(17-20-15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyYGCAOKXEROLOPK-UHFFFAOYSA-N
XLogP2.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 7119247
N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide
CID 15987643
N-ethyl-N-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide
CID 16024812
2-[(3-Phenyl-1,2,4-oxadiazol-5-YL)sulfanyl]-1-(4-phenylpiperazin-1-YL)ethan-1-one
CID 16024834
1-({[3-(4-Isopropylphenyl)-1,2,4-oxadiazol-5-yl]thio}acetyl)-4-methylpiperidine
CID 16024868
1-(2-Methylpiperidin-1-YL)-2-({3-[4-(propan-2-YL)phenyl]-1,2,4-oxadiazol-5-YL}sulfanyl)ethan-1-one
CID 16024872
Ethanamine, N,N-dimethyl-2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, monohydrochloride
CID 3046125
1-(4-Methylpiperidin-1-YL)-2-[(3-phenyl-1,2,4-oxadiazol-5-YL)sulfanyl]ethan-1-one
CID 16024830
1-(2-Methylpiperidin-1-YL)-2-[(3-phenyl-1,2,4-oxadiazol-5-YL)sulfanyl]ethan-1-one
CID 16024832
1-(Piperidin-1-YL)-2-({3-[4-(propan-2-YL)phenyl]-1,2,4-oxadiazol-5-YL}sulfanyl)ethan-1-one
CID 16024870
2-(diethylamino)ethyl (5Z)-N-hydroxy-3-phenyl-1,2,4-oxadiazole-5-carboximidothioate
CID 135789913
5-Methylsulfanyl-3-phenyl-1,2,4-oxadiazole
CID 12266911

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone (CID 15987644) is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone is O=C(CSc1nc(-c2ccccc2)no1)N1CCCCC1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is YGCAOKXEROLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-13(18-9-5-2-6-10-18)11-21-15-16-14(17-20-15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone?
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 303.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 15987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).