2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H15N5O2 — CID 104633935

IUPAC2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(-c2cnn(C)c2)n1
InChIInChI=1S/C10H15N5O2/c1-3-16-6-8(11)9-13-10(17-14-9)7-4-12-15(2)5-7/h4-5,8H,3,6,11H2,1-2H3
InChIKeyXFTQNOCUCKHGRG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.51
Rot. Bonds5

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

2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633935) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633935
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(-c2cnn(C)c2)n1
InChIInChI=1S/C10H15N5O2/c1-3-16-6-8(11)9-13-10(17-14-9)7-4-12-15(2)5-7/h4-5,8H,3,6,11H2,1-2H3
InChIKeyXFTQNOCUCKHGRG-UHFFFAOYSA-N
XLogP0.51
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325190
1-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634129
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
2-ethoxy-1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633859
2-ethoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634109
1-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 114375359
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634440
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634100
2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633923
2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633955
2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633966

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633935) is 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is XFTQNOCUCKHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-16-6-8(11)9-13-10(17-14-9)7-4-12-15(2)5-7/h4-5,8H,3,6,11H2,1-2H3.
What are the key properties of 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 237.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).