2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

C12H19N5O2 — CID 102802232

IUPAC2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2cn(C)nc2C)n1
InChIInChI=1S/C12H19N5O2/c1-5-18-7-12(3,13)11-14-10(19-16-11)9-6-17(4)15-8(9)2/h6H,5,7,13H2,1-4H3
InChIKeyWRZGLKUIKVGZTF-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (PubChem CID 102802232) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
PubChem CID102802232
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2cn(C)nc2C)n1
InChIInChI=1S/C12H19N5O2/c1-5-18-7-12(3,13)11-14-10(19-16-11)9-6-17(4)15-8(9)2/h6H,5,7,13H2,1-4H3
InChIKeyWRZGLKUIKVGZTF-UHFFFAOYSA-N
XLogP0.99
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636821
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
2-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637128
1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636665
2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107983758
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 106689504
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 102802205
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 102802227
2-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107940756
1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103310878

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The IUPAC name of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (CID 102802232) is 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.
What is the SMILES notation for 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The canonical SMILES for 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is CCOCC(C)(N)c1noc(-c2cn(C)nc2C)n1.
What is the InChIKey of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The InChIKey is WRZGLKUIKVGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-5-18-7-12(3,13)11-14-10(19-16-11)9-6-17(4)15-8(9)2/h6H,5,7,13H2,1-4H3.
What are the key properties of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine has a molecular weight of 265.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 102802232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).