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

C13H20N4O2 — CID 65237237

IUPAC2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnoc1-c1c(C)nn(C)c1C
InChIInChI=1S/C13H20N4O2/c1-9-12(10(2)17(3)16-9)13-11(8-15-19-13)7-14-5-6-18-4/h8,14H,5-7H2,1-4H3
InChIKeyBZXJGGNDKMAACU-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.43
Rot. Bonds6

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

2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine (PubChem CID 65237237) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine
PubChem CID65237237
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnoc1-c1c(C)nn(C)c1C
InChIInChI=1S/C13H20N4O2/c1-9-12(10(2)17(3)16-9)13-11(8-15-19-13)7-14-5-6-18-4/h8,14H,5-7H2,1-4H3
InChIKeyBZXJGGNDKMAACU-UHFFFAOYSA-N
XLogP1.43
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine (CID 65237237) is 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine is COCCNCc1cnoc1-c1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
The InChIKey is BZXJGGNDKMAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-12(10(2)17(3)16-9)13-11(8-15-19-13)7-14-5-6-18-4/h8,14H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine has a molecular weight of 264.33 g/mol, XLogP of 1.43, 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-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65237237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).