1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C14H24N4O — CID 120859136

IUPAC1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(c1nc(C2(N)CCC2)no1)N1CCCCCC1
InChIInChI=1S/C14H24N4O/c1-11(18-9-4-2-3-5-10-18)12-16-13(17-19-12)14(15)7-6-8-14/h11H,2-10,15H2,1H3
InChIKeyWEMVHLNTQUGVDP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds3

About 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859136) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859136
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(c1nc(C2(N)CCC2)no1)N1CCCCCC1
InChIInChI=1S/C14H24N4O/c1-11(18-9-4-2-3-5-10-18)12-16-13(17-19-12)14(15)7-6-8-14/h11H,2-10,15H2,1H3
InChIKeyWEMVHLNTQUGVDP-UHFFFAOYSA-N
XLogP2.34
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863041
1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859773
3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120857219
1-[5-(1-cyclohexylpropan-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861523
1-[5-(1-cycloheptyloxyethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859247
1-[5-[(1S)-1-(dimethylamino)-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857536
1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864326
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
1-[5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862364
1-[5-(1-but-3-enoxyethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858997
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859136) is 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC(c1nc(C2(N)CCC2)no1)N1CCCCCC1.
What is the InChIKey of 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is WEMVHLNTQUGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(18-9-4-2-3-5-10-18)12-16-13(17-19-12)14(15)7-6-8-14/h11H,2-10,15H2,1H3.
What are the key properties of 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).