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

C10H17N3O — CID 102548111

IUPAC5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCNCC2)n1
InChIInChI=1S/C10H17N3O/c1-2-9-12-10(14-13-9)8-4-3-6-11-7-5-8/h8,11H,2-7H2,1H3
InChIKeySFPDWTJJUYILBJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.49
Rot. Bonds2

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

5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 102548111) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
PubChem CID102548111
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCNCC2)n1
InChIInChI=1S/C10H17N3O/c1-2-9-12-10(14-13-9)8-4-3-6-11-7-5-8/h8,11H,2-7H2,1H3
InChIKeySFPDWTJJUYILBJ-UHFFFAOYSA-N
XLogP1.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
CID 130015814
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080670
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole (CID 102548111) is 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(C2CCCNCC2)n1.
What is the InChIKey of 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is SFPDWTJJUYILBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9-12-10(14-13-9)8-4-3-6-11-7-5-8/h8,11H,2-7H2,1H3.
What are the key properties of 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole?
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 102548111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).