3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride

C11H20ClN3O2 — CID 75484082

IUPAC3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCCOCc1nc(C2CCCCCN2)no1.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-2-15-8-10-13-11(14-16-10)9-6-4-3-5-7-12-9;/h9,12H,2-8H2,1H3;1H
InChIKeyIPZDYGGUPSNZPP-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.23
Rot. Bonds4

About 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride

3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 75484082) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID75484082
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCCOCc1nc(C2CCCCCN2)no1.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-2-15-8-10-13-11(14-16-10)9-6-4-3-5-7-12-9;/h9,12H,2-8H2,1H3;1H
InChIKeyIPZDYGGUPSNZPP-UHFFFAOYSA-N
XLogP2.23
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 99727953
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
3-(azepan-2-yl)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 75484118
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride (CID 75484082) is 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride is CCOCc1nc(C2CCCCCN2)no1.Cl.
What is the InChIKey of 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IPZDYGGUPSNZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-2-15-8-10-13-11(14-16-10)9-6-4-3-5-7-12-9;/h9,12H,2-8H2,1H3;1H.
What are the key properties of 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride?
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 75484082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).