2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C17H25N3OS — CID 71881665

IUPAC2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCCC1CCCN(C(C)c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C17H25N3OS/c1-3-6-14-7-4-10-20(11-9-14)13(2)16-18-19-17(21-16)15-8-5-12-22-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3
InChIKeySXSWLKUQIYJNSH-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.76
Rot. Bonds5

About 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 71881665) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID71881665
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCCC1CCCN(C(C)c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C17H25N3OS/c1-3-6-14-7-4-10-20(11-9-14)13(2)16-18-19-17(21-16)15-8-5-12-22-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3
InChIKeySXSWLKUQIYJNSH-UHFFFAOYSA-N
XLogP4.76
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 71881665) is 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CCCC1CCCN(C(C)c2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is SXSWLKUQIYJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-3-6-14-7-4-10-20(11-9-14)13(2)16-18-19-17(21-16)15-8-5-12-22-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 319.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71881665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).