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

C12H19N5O2 — CID 116740903

IUPAC5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCCOC(CC)(CC)c1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C12H19N5O2/c1-4-12(5-2,18-6-3)11-14-10(19-17-11)8-7-9(13)16-15-8/h7H,4-6H2,1-3H3,(H3,13,15,16)
InChIKeyIABWLUIMHIMYRY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.09
Rot. Bonds6

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

5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 116740903) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID116740903
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCCOC(CC)(CC)c1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C12H19N5O2/c1-4-12(5-2,18-6-3)11-14-10(19-17-11)8-7-9(13)16-15-8/h7H,4-6H2,1-3H3,(H3,13,15,16)
InChIKeyIABWLUIMHIMYRY-UHFFFAOYSA-N
XLogP2.09
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 116740948
[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116740949
5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
CID 79404984
2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 116740874
3-chloro-2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741046
2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051243
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 115533139
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64529074
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778214
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741125
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116741164
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 116740903) is 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is CCOC(CC)(CC)c1noc(-c2cc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is IABWLUIMHIMYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-12(5-2,18-6-3)11-14-10(19-17-11)8-7-9(13)16-15-8/h7H,4-6H2,1-3H3,(H3,13,15,16).
What are the key properties of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 265.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 116740903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).