2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine

C11H16N4O2 — CID 65237378

IUPAC2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnoc1-c1cnn(C)c1
InChIInChI=1S/C11H16N4O2/c1-15-8-10(6-13-15)11-9(7-14-17-11)5-12-3-4-16-2/h6-8,12H,3-5H2,1-2H3
InChIKeyFTAZMSUNPNCFEU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.81
Rot. Bonds6

About 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine

2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine (PubChem CID 65237378) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine
PubChem CID65237378
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnoc1-c1cnn(C)c1
InChIInChI=1S/C11H16N4O2/c1-15-8-10(6-13-15)11-9(7-14-17-11)5-12-3-4-16-2/h6-8,12H,3-5H2,1-2H3
InChIKeyFTAZMSUNPNCFEU-UHFFFAOYSA-N
XLogP0.81
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine 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 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine (CID 65237378) is 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine is COCCNCc1cnoc1-c1cnn(C)c1.
What is the InChIKey of 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
The InChIKey is FTAZMSUNPNCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-8-10(6-13-15)11-9(7-14-17-11)5-12-3-4-16-2/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine has a molecular weight of 236.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65237378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).