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

C11H19N3O — CID 103166366

IUPACN-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(CC2CCC2)o1
InChIInChI=1S/C11H19N3O/c1-8(2)12-7-11-14-13-10(15-11)6-9-4-3-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyJXDFXNUMXWOPFS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds5

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

N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 103166366) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID103166366
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(CC2CCC2)o1
InChIInChI=1S/C11H19N3O/c1-8(2)12-7-11-14-13-10(15-11)6-9-4-3-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyJXDFXNUMXWOPFS-UHFFFAOYSA-N
XLogP1.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(cyclobutylmethyl)-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

N-[[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137045
N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164844
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138939
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103166387
2-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 103166389
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
CID 103162193
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
N-cyclopentyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969096
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482
2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 130703721
N-cyclohexyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968010

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 103166366) is N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(CC2CCC2)o1.
What is the InChIKey of N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is JXDFXNUMXWOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)12-7-11-14-13-10(15-11)6-9-4-3-5-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103166366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).