2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C16H21N3OS — CID 112780507

IUPAC2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCN1CCCCC1CCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H21N3OS/c1-19-11-6-5-9-14(19)10-12-21-16-18-17-15(20-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyRNZZLDMTYIYFLP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.70
Rot. Bonds5

About 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 112780507) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID112780507
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCN1CCCCC1CCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H21N3OS/c1-19-11-6-5-9-14(19)10-12-21-16-18-17-15(20-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyRNZZLDMTYIYFLP-UHFFFAOYSA-N
XLogP3.70
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 112780507) is 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole is CN1CCCCC1CCSc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RNZZLDMTYIYFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19-11-6-5-9-14(19)10-12-21-16-18-17-15(20-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 303.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 112780507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).