3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C20H19N3O2S — CID 7266928

IUPAC3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1
InChIInChI=1S/C20H19N3O2S/c1-26-17-8-4-7-15(12-17)18(24)21-20-23-22-19(25-20)16-10-9-13-5-2-3-6-14(13)11-16/h4,7-12H,2-3,5-6H2,1H3,(H,21,23,24)
InChIKeyJVGIOGOGDGLSGQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.59
Rot. Bonds4

About 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7266928) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7266928
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1
InChIInChI=1S/C20H19N3O2S/c1-26-17-8-4-7-15(12-17)18(24)21-20-23-22-19(25-20)16-10-9-13-5-2-3-6-14(13)11-16/h4,7-12H,2-3,5-6H2,1H3,(H,21,23,24)
InChIKeyJVGIOGOGDGLSGQ-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7266928) is 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CSc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1.
What is the InChIKey of 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JVGIOGOGDGLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-26-17-8-4-7-15(12-17)18(24)21-20-23-22-19(25-20)16-10-9-13-5-2-3-6-14(13)11-16/h4,7-12H,2-3,5-6H2,1H3,(H,21,23,24).
What are the key properties of 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7266928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).