N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 72844552

IUPACN-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCC2CCCCCN2)o1
InChIInChI=1S/C11H20N4O/c1-2-10-14-15-11(16-10)13-8-9-6-4-3-5-7-12-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyLKVAHJHLQOEIHI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.58
Rot. Bonds4

About N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine

N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 72844552) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID72844552
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCC2CCCCCN2)o1
InChIInChI=1S/C11H20N4O/c1-2-10-14-15-11(16-10)13-8-9-6-4-3-5-7-12-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyLKVAHJHLQOEIHI-UHFFFAOYSA-N
XLogP1.58
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine (CID 72844552) is N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(NCC2CCCCCN2)o1.
What is the InChIKey of N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LKVAHJHLQOEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-10-14-15-11(16-10)13-8-9-6-4-3-5-7-12-9/h9,12H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine?
N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72844552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).