2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C15H26N6O2 — CID 45250508

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1nnnc1CN1CCCCCC1)NCC1CCCO1
InChIInChI=1S/C15H26N6O2/c22-15(16-10-13-6-5-9-23-13)12-21-14(17-18-19-21)11-20-7-3-1-2-4-8-20/h13H,1-12H2,(H,16,22)
InChIKeyURMZDKSRYOBZMR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.34
Rot. Bonds6

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45250508) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID45250508
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1nnnc1CN1CCCCCC1)NCC1CCCO1
InChIInChI=1S/C15H26N6O2/c22-15(16-10-13-6-5-9-23-13)12-21-14(17-18-19-21)11-20-7-3-1-2-4-8-20/h13H,1-12H2,(H,16,22)
InChIKeyURMZDKSRYOBZMR-UHFFFAOYSA-N
XLogP0.34
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide 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 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 45250508) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1nnnc1CN1CCCCCC1)NCC1CCCO1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is URMZDKSRYOBZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c22-15(16-10-13-6-5-9-23-13)12-21-14(17-18-19-21)11-20-7-3-1-2-4-8-20/h13H,1-12H2,(H,16,22).
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45250508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).