3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole

C15H23N5O — CID 104541133

IUPAC3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2nc(C3CCCCCN3)no2)n(CC)n1
InChIInChI=1S/C15H23N5O/c1-3-11-10-13(20(4-2)18-11)15-17-14(19-21-15)12-8-6-5-7-9-16-12/h10,12,16H,3-9H2,1-2H3
InChIKeyKTDJCMJOILWYGR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.72
Rot. Bonds4

About 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole

3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 104541133) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID104541133
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2nc(C3CCCCCN3)no2)n(CC)n1
InChIInChI=1S/C15H23N5O/c1-3-11-10-13(20(4-2)18-11)15-17-14(19-21-15)12-8-6-5-7-9-16-12/h10,12,16H,3-9H2,1-2H3
InChIKeyKTDJCMJOILWYGR-UHFFFAOYSA-N
XLogP2.72
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 66121030
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 54944807
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 103619120
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104672075
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole (CID 104541133) is 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole is CCc1cc(-c2nc(C3CCCCCN3)no2)n(CC)n1.
What is the InChIKey of 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KTDJCMJOILWYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-11-10-13(20(4-2)18-11)15-17-14(19-21-15)12-8-6-5-7-9-16-12/h10,12,16H,3-9H2,1-2H3.
What are the key properties of 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole?
3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104541133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).