3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine

C8H13N3O — CID 64985459

IUPAC3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(C2CCC2)no1
InChIInChI=1S/C8H13N3O/c1-2-9-8-10-7(11-12-8)6-4-3-5-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyAVUODHGPXGCQFT-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.77
Rot. Bonds3

About 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine

3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 64985459) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID64985459
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(C2CCC2)no1
InChIInChI=1S/C8H13N3O/c1-2-9-8-10-7(11-12-8)6-4-3-5-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyAVUODHGPXGCQFT-UHFFFAOYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclohexyl-1,2,4-oxadiazol-5-yl)hydrazine
CID 62596343
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827051
3-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,2,4-oxadiazol-5-amine
CID 131005374
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 65334460
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid
CID 83831304
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 64982225
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine (CID 64985459) is 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine is CCNc1nc(C2CCC2)no1.
What is the InChIKey of 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is AVUODHGPXGCQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-9-8-10-7(11-12-8)6-4-3-5-6/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine?
3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 167.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 64985459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).