N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine

C11H19N3O — CID 64982225

IUPACN-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nc(C2CCC2)no1
InChIInChI=1S/C11H19N3O/c1-3-8(2)12-7-10-13-11(14-15-10)9-5-4-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyNFELSNOHUDUNST-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.23
Rot. Bonds5

About N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine

N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine (PubChem CID 64982225) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
PubChem CID64982225
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nc(C2CCC2)no1
InChIInChI=1S/C11H19N3O/c1-3-8(2)12-7-10-13-11(14-15-10)9-5-4-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyNFELSNOHUDUNST-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401010
N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401429
N-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 115385146
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 65425572
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,5-dichloro-2-fluorophenyl)ethanamine
CID 167931558
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine (CID 64982225) is N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine is CCC(C)NCc1nc(C2CCC2)no1.
What is the InChIKey of N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine?
The InChIKey is NFELSNOHUDUNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-8(2)12-7-10-13-11(14-15-10)9-5-4-6-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine?
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 64982225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).