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

C12H21N3O2 — CID 104693275

IUPACN-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1(c2noc(CNC(C)(C)C)n2)CCC1
InChIInChI=1S/C12H21N3O2/c1-11(2,3)13-8-9-14-10(15-17-9)12(16-4)6-5-7-12/h13H,5-8H2,1-4H3
InChIKeyIHLDRUIQRRWDHC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.98
Rot. Bonds4

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

N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104693275) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID104693275
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1(c2noc(CNC(C)(C)C)n2)CCC1
InChIInChI=1S/C12H21N3O2/c1-11(2,3)13-8-9-14-10(15-17-9)12(16-4)6-5-7-12/h13H,5-8H2,1-4H3
InChIKeyIHLDRUIQRRWDHC-UHFFFAOYSA-N
XLogP1.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-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-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
CID 104609581
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
1-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 104609689
2-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116701492
2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742001
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733043

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 104693275) is N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine is COC1(c2noc(CNC(C)(C)C)n2)CCC1.
What is the InChIKey of N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IHLDRUIQRRWDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,3)13-8-9-14-10(15-17-9)12(16-4)6-5-7-12/h13H,5-8H2,1-4H3.
What are the key properties of N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104693275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).