N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine

C7H13N3O — CID 62138660

IUPACN-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCNCc1nnc(C(C)C)o1
InChIInChI=1S/C7H13N3O/c1-5(2)7-10-9-6(11-7)4-8-3/h5,8H,4H2,1-3H3
InChIKeyHGDHBFIFPMCGOL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.91
Rot. Bonds3

About N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine

N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 62138660) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID62138660
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCNCc1nnc(C(C)C)o1
InChIInChI=1S/C7H13N3O/c1-5(2)7-10-9-6(11-7)4-8-3/h5,8H,4H2,1-3H3
InChIKeyHGDHBFIFPMCGOL-UHFFFAOYSA-N
XLogP0.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine (CID 62138660) is N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine is CNCc1nnc(C(C)C)o1.
What is the InChIKey of N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is HGDHBFIFPMCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)7-10-9-6(11-7)4-8-3/h5,8H,4H2,1-3H3.
What are the key properties of N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 155.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 62138660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).