2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide

C13H22N4O2 — CID 97344750

IUPAC2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
SMILESCC(C)c1nc([C@@H]2CCCCCN2CC(N)=O)no1
InChIInChI=1S/C13H22N4O2/c1-9(2)13-15-12(16-19-13)10-6-4-3-5-7-17(10)8-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)/t10-/m0/s1
InChIKeyLCVCFAAYECOOAE-JTQLQIEISA-N
MW266.34 g/mol
LogP1.60
Rot. Bonds4

About 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide

2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide (PubChem CID 97344750) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
PubChem CID97344750
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
SMILESCC(C)c1nc([C@@H]2CCCCCN2CC(N)=O)no1
InChIInChI=1S/C13H22N4O2/c1-9(2)13-15-12(16-19-13)10-6-4-3-5-7-17(10)8-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)/t10-/m0/s1
InChIKeyLCVCFAAYECOOAE-JTQLQIEISA-N
XLogP1.60
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]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-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide (CID 97344750) is 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide is CC(C)c1nc([C@@H]2CCCCCN2CC(N)=O)no1.
What is the InChIKey of 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
The InChIKey is LCVCFAAYECOOAE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)13-15-12(16-19-13)10-6-4-3-5-7-17(10)8-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide is sourced from PubChem (CID 97344750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).