N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine

C12H23N3O — CID 115927669

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-6-7-9(2)13-8-10-14-11(16-15-10)12(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyYHFSPESSAVRILT-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.65
Rot. Bonds5

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine (PubChem CID 115927669) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
PubChem CID115927669
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-6-7-9(2)13-8-10-14-11(16-15-10)12(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyYHFSPESSAVRILT-UHFFFAOYSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3-octan-2-ylguanidine
CID 111793765
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
CID 176864350
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 99785176
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111794337
5-tert-butyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 130636836
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111619379
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122060559
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine
CID 115689689

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine (CID 115927669) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine is CCCC(C)NCc1noc(C(C)(C)C)n1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
The InChIKey is YHFSPESSAVRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-7-9(2)13-8-10-14-11(16-15-10)12(3,4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115927669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).