N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

C12H20N2O2 — CID 107003702

IUPACN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1C1CC1(C)C
InChIInChI=1S/C12H20N2O2/c1-12(2)6-9(12)11-10(14-8-16-11)7-13-4-5-15-3/h8-9,13H,4-7H2,1-3H3
InChIKeyJCMOALHOWNJICC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.92
Rot. Bonds6

About N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 107003702) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID107003702
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1C1CC1(C)C
InChIInChI=1S/C12H20N2O2/c1-12(2)6-9(12)11-10(14-8-16-11)7-13-4-5-15-3/h8-9,13H,4-7H2,1-3H3
InChIKeyJCMOALHOWNJICC-UHFFFAOYSA-N
XLogP1.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine 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-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 107003702) is N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1ncoc1C1CC1(C)C.
What is the InChIKey of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is JCMOALHOWNJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2)6-9(12)11-10(14-8-16-11)7-13-4-5-15-3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107003702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).