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

C13H15N5O2 — CID 56780229

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1cnn(CCNCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C13H15N5O2/c1-10-7-15-18(9-10)5-4-14-8-12-16-13(17-20-12)11-3-2-6-19-11/h2-3,6-7,9,14H,4-5,8H2,1H3
InChIKeyWUMBTVQBVORCRZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.62
Rot. Bonds6

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

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 56780229) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID56780229
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1cnn(CCNCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C13H15N5O2/c1-10-7-15-18(9-10)5-4-14-8-12-16-13(17-20-12)11-3-2-6-19-11/h2-3,6-7,9,14H,4-5,8H2,1H3
InChIKeyWUMBTVQBVORCRZ-UHFFFAOYSA-N
XLogP1.62
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine (CID 56780229) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine is Cc1cnn(CCNCc2nc(-c3ccco3)no2)c1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is WUMBTVQBVORCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10-7-15-18(9-10)5-4-14-8-12-16-13(17-20-12)11-3-2-6-19-11/h2-3,6-7,9,14H,4-5,8H2,1H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 273.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 56780229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).