N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

C11H16N4O — CID 56780219

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1cnn(CCNCc2cc(C)no2)c1
InChIInChI=1S/C11H16N4O/c1-9-6-13-15(8-9)4-3-12-7-11-5-10(2)14-16-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyMBSULUGLMVXYOS-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.28
Rot. Bonds5

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 56780219) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID56780219
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1cnn(CCNCc2cc(C)no2)c1
InChIInChI=1S/C11H16N4O/c1-9-6-13-15(8-9)4-3-12-7-11-5-10(2)14-16-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyMBSULUGLMVXYOS-UHFFFAOYSA-N
XLogP1.28
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)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 N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (CID 56780219) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is Cc1cnn(CCNCc2cc(C)no2)c1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is MBSULUGLMVXYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9-6-13-15(8-9)4-3-12-7-11-5-10(2)14-16-11/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 56780219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).