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

C12H21N3O2 — CID 62213585

IUPAC2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(C2CCCCO2)o1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)13-8-10-14-15-11(17-10)9-6-4-5-7-16-9/h9,13H,4-8H2,1-3H3
InChIKeyWXFZFMSDZUMBQJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.20
Rot. Bonds3

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

2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62213585) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62213585
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(C2CCCCO2)o1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)13-8-10-14-15-11(17-10)9-6-4-5-7-16-9/h9,13H,4-8H2,1-3H3
InChIKeyWXFZFMSDZUMBQJ-UHFFFAOYSA-N
XLogP2.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-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

2-{5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl}piperidine hydrochloride
CID 119031515
2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole
CID 175746312
2-{5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl}piperidine
CID 119031516
3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55048095
N-[1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55048096
2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55048097
1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124164
N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55124494
2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62060865
2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 62137414
N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138507
N-ethyl-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62213585) is 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(C2CCCCO2)o1.
What is the InChIKey of 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is WXFZFMSDZUMBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)13-8-10-14-15-11(17-10)9-6-4-5-7-16-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62213585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).