N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine

C11H16N4O — CID 65240220

IUPACN-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1cnn(C)c1
InChIInChI=1S/C11H16N4O/c1-3-4-12-5-9-7-14-16-11(9)10-6-13-15(2)8-10/h6-8,12H,3-5H2,1-2H3
InChIKeyQWRBTAPOYSKBJE-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.57
Rot. Bonds5

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

N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65240220) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65240220
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1cnn(C)c1
InChIInChI=1S/C11H16N4O/c1-3-4-12-5-9-7-14-16-11(9)10-6-13-15(2)8-10/h6-8,12H,3-5H2,1-2H3
InChIKeyQWRBTAPOYSKBJE-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine (CID 65240220) is N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1cnoc1-c1cnn(C)c1.
What is the InChIKey of N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is QWRBTAPOYSKBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-4-12-5-9-7-14-16-11(9)10-6-13-15(2)8-10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65240220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).