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

C12H21N3O — CID 64985592

IUPAC2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CCC2)no1
InChIInChI=1S/C12H21N3O/c1-4-10(13-3)8(2)12-14-11(15-16-12)9-6-5-7-9/h8-10,13H,4-7H2,1-3H3
InChIKeySHOIFCPRTSCOQW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds5

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

2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine (PubChem CID 64985592) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
PubChem CID64985592
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CCC2)no1
InChIInChI=1S/C12H21N3O/c1-4-10(13-3)8(2)12-14-11(15-16-12)9-6-5-7-9/h8-10,13H,4-7H2,1-3H3
InChIKeySHOIFCPRTSCOQW-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 107924584
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 65329237

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The IUPAC name of 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine (CID 64985592) is 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine is CCC(NC)C(C)c1nc(C2CCC2)no1.
What is the InChIKey of 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The InChIKey is SHOIFCPRTSCOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(13-3)8(2)12-14-11(15-16-12)9-6-5-7-9/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 64985592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).