3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride

C13H20ClN5O — CID 75484118

IUPAC3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1cc(Cc2nc(C3CCCCCN3)no2)n[nH]1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-9-7-10(17-16-9)8-12-15-13(18-19-12)11-5-3-2-4-6-14-11;/h7,11,14H,2-6,8H2,1H3,(H,16,17);1H
InChIKeyWDVAJKLNSRKIJX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.32
Rot. Bonds3

About 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride

3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 75484118) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID75484118
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1cc(Cc2nc(C3CCCCCN3)no2)n[nH]1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-9-7-10(17-16-9)8-12-15-13(18-19-12)11-5-3-2-4-6-14-11;/h7,11,14H,2-6,8H2,1H3,(H,16,17);1H
InChIKeyWDVAJKLNSRKIJX-UHFFFAOYSA-N
XLogP2.32
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride (CID 75484118) is 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride is Cc1cc(Cc2nc(C3CCCCCN3)no2)n[nH]1.Cl.
What is the InChIKey of 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WDVAJKLNSRKIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.ClH/c1-9-7-10(17-16-9)8-12-15-13(18-19-12)11-5-3-2-4-6-14-11;/h7,11,14H,2-6,8H2,1H3,(H,16,17);1H.
What are the key properties of 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 75484118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).