1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine

C13H23N3O — CID 64985811

IUPAC1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(C2CCC2)no1)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-13(2,3)10(14-4)8-11-15-12(16-17-11)9-6-5-7-9/h9-10,14H,5-8H2,1-4H3
InChIKeyUZTRPOODPXJNRF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 64985811) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID64985811
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(C2CCC2)no1)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-13(2,3)10(14-4)8-11-15-12(16-17-11)9-6-5-7-9/h9-10,14H,5-8H2,1-4H3
InChIKeyUZTRPOODPXJNRF-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,3-trimethyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636575
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methoxypropan-1-amine
CID 103157717
3,3-dimethyl-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349828
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65392265
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine (CID 64985811) is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine is CNC(Cc1nc(C2CCC2)no1)C(C)(C)C.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is UZTRPOODPXJNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)10(14-4)8-11-15-12(16-17-11)9-6-5-7-9/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine?
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 64985811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).