acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H21N5O2 — CID 145151189

IUPACacetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(N)=O.NCc1nc(N2CCCCCC2)no1
InChIInChI=1S/C9H16N4O.C2H5NO/c10-7-8-11-9(12-14-8)13-5-3-1-2-4-6-13;1-2(3)4/h1-7,10H2;1H3,(H2,3,4)
InChIKeyFCQFQGBARVUIGZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.40
Rot. Bonds2

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

acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 145151189) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Nameacetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID145151189
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Nameacetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(N)=O.NCc1nc(N2CCCCCC2)no1
InChIInChI=1S/C9H16N4O.C2H5NO/c10-7-8-11-9(12-14-8)13-5-3-1-2-4-6-13;1-2(3)4/h1-7,10H2;1H3,(H2,3,4)
InChIKeyFCQFQGBARVUIGZ-UHFFFAOYSA-N
XLogP0.40
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 116808785
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 116808522
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116809007
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 116808513
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044

Frequently Asked Questions

What is the IUPAC name of acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 145151189) is acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine is CC(N)=O.NCc1nc(N2CCCCCC2)no1.
What is the InChIKey of acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is FCQFQGBARVUIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.C2H5NO/c10-7-8-11-9(12-14-8)13-5-3-1-2-4-6-13;1-2(3)4/h1-7,10H2;1H3,(H2,3,4).
What are the key properties of acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 145151189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).