2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole

C14H20N2OS — CID 3011976

IUPAC2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H20N2OS/c1-2-18-13-16-15-12(17-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3
InChIKeyGJGHKCQXGCBJHG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.65
Rot. Bonds3

About 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole

2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole (PubChem CID 3011976) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole
PubChem CID3011976
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H20N2OS/c1-2-18-13-16-15-12(17-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3
InChIKeyGJGHKCQXGCBJHG-UHFFFAOYSA-N
XLogP3.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole (CID 3011976) is 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole is CCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole?
The InChIKey is GJGHKCQXGCBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-18-13-16-15-12(17-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole?
2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole has a molecular weight of 264.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-ethylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 3011976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).