2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide

C17H23N5O2S — CID 119446737

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1noc(CSc2ccccc2C(=O)NCCN2CCNCC2)n1
InChIInChI=1S/C17H23N5O2S/c1-13-20-16(24-21-13)12-25-15-5-3-2-4-14(15)17(23)19-8-11-22-9-6-18-7-10-22/h2-5,18H,6-12H2,1H3,(H,19,23)
InChIKeyYOIMIXKACHQSDX-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.31
Rot. Bonds7

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119446737) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119446737
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1noc(CSc2ccccc2C(=O)NCCN2CCNCC2)n1
InChIInChI=1S/C17H23N5O2S/c1-13-20-16(24-21-13)12-25-15-5-3-2-4-14(15)17(23)19-8-11-22-9-6-18-7-10-22/h2-5,18H,6-12H2,1H3,(H,19,23)
InChIKeyYOIMIXKACHQSDX-UHFFFAOYSA-N
XLogP1.31
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide (CID 119446737) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide is Cc1noc(CSc2ccccc2C(=O)NCCN2CCNCC2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is YOIMIXKACHQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-13-20-16(24-21-13)12-25-15-5-3-2-4-14(15)17(23)19-8-11-22-9-6-18-7-10-22/h2-5,18H,6-12H2,1H3,(H,19,23).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119446737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).