1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine

C13H21N5O2 — CID 104634499

IUPAC1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(-c2cc(CC)nn2C)n1
InChIInChI=1S/C13H21N5O2/c1-4-6-19-8-10(14)12-15-13(20-17-12)11-7-9(5-2)16-18(11)3/h7,10H,4-6,8,14H2,1-3H3
InChIKeyKXKRNMLROVPEFN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.46
Rot. Bonds7

About 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine (PubChem CID 104634499) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
PubChem CID104634499
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(-c2cc(CC)nn2C)n1
InChIInChI=1S/C13H21N5O2/c1-4-6-19-8-10(14)12-15-13(20-17-12)11-7-9(5-2)16-18(11)3/h7,10H,4-6,8,14H2,1-3H3
InChIKeyKXKRNMLROVPEFN-UHFFFAOYSA-N
XLogP1.46
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.46
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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Related Compounds

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66122133
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 107974498
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634440
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 66120373
1-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634479
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634275
2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633387
1-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634412
1-[5-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634361
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634300
1-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634363
1-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634413

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine (CID 104634499) is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine is CCCOCC(N)c1noc(-c2cc(CC)nn2C)n1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The InChIKey is KXKRNMLROVPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-6-19-8-10(14)12-15-13(20-17-12)11-7-9(5-2)16-18(11)3/h7,10H,4-6,8,14H2,1-3H3.
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine has a molecular weight of 279.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine is sourced from PubChem (CID 104634499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).