1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine

C13H24N4O — CID 65077749

IUPAC1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
SMILESCCCc1nc(C2(N)CCCN(CC)CC2)no1
InChIInChI=1S/C13H24N4O/c1-3-6-11-15-12(16-18-11)13(14)7-5-9-17(4-2)10-8-13/h3-10,14H2,1-2H3
InChIKeyITSQBVZLDIAEDR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.68
Rot. Bonds4

About 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine

1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine (PubChem CID 65077749) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
PubChem CID65077749
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
SMILESCCCc1nc(C2(N)CCCN(CC)CC2)no1
InChIInChI=1S/C13H24N4O/c1-3-6-11-15-12(16-18-11)13(14)7-5-9-17(4-2)10-8-13/h3-10,14H2,1-2H3
InChIKeyITSQBVZLDIAEDR-UHFFFAOYSA-N
XLogP1.68
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077748
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 106820751
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine
CID 131076553
1-propyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]azepan-4-amine
CID 65077945
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide
CID 59869122

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
The IUPAC name of 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine (CID 65077749) is 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
The canonical SMILES for 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine is CCCc1nc(C2(N)CCCN(CC)CC2)no1.
What is the InChIKey of 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
The InChIKey is ITSQBVZLDIAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-6-11-15-12(16-18-11)13(14)7-5-9-17(4-2)10-8-13/h3-10,14H2,1-2H3.
What are the key properties of 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine is sourced from PubChem (CID 65077749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).