5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C13H13N5O2 — CID 115533139

IUPAC5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCCOc1ccccc1-c1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C13H13N5O2/c1-2-19-10-6-4-3-5-8(10)12-15-13(20-18-12)9-7-11(14)17-16-9/h3-7H,2H2,1H3,(H3,14,16,17)
InChIKeyOWJGDSPDXMMJFS-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.11
Rot. Bonds4

About 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 115533139) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID115533139
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCCOc1ccccc1-c1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C13H13N5O2/c1-2-19-10-6-4-3-5-8(10)12-15-13(20-18-12)9-7-11(14)17-16-9/h3-7H,2H2,1H3,(H3,14,16,17)
InChIKeyOWJGDSPDXMMJFS-UHFFFAOYSA-N
XLogP2.11
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
5-(4-ethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3539207
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
5-[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 154854498
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 115533139) is 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is CCOc1ccccc1-c1noc(-c2cc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is OWJGDSPDXMMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-2-19-10-6-4-3-5-8(10)12-15-13(20-18-12)9-7-11(14)17-16-9/h3-7H,2H2,1H3,(H3,14,16,17).
What are the key properties of 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 271.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115533139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).