2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol

C11H17N5O2 — CID 104633387

IUPAC2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCc1cc(-c2nc(C(N)CO)no2)n(CC)n1
InChIInChI=1S/C11H17N5O2/c1-3-7-5-9(16(4-2)14-7)11-13-10(15-18-11)8(12)6-17/h5,8,17H,3-4,6,12H2,1-2H3
InChIKeyMHGHKDDAFCYOFR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.51
Rot. Bonds5

About 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633387) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633387
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCc1cc(-c2nc(C(N)CO)no2)n(CC)n1
InChIInChI=1S/C11H17N5O2/c1-3-7-5-9(16(4-2)14-7)11-13-10(15-18-11)8(12)6-17/h5,8,17H,3-4,6,12H2,1-2H3
InChIKeyMHGHKDDAFCYOFR-UHFFFAOYSA-N
XLogP0.51
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66120490
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66122133
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 66120489
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 66120688
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634499
2-amino-2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633282
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 66120373
5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 66121030
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
5-(1,3-diethylpyrazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 66121190
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633387) is 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is CCc1cc(-c2nc(C(N)CO)no2)n(CC)n1.
What is the InChIKey of 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is MHGHKDDAFCYOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-7-5-9(16(4-2)14-7)11-13-10(15-18-11)8(12)6-17/h5,8,17H,3-4,6,12H2,1-2H3.
What are the key properties of 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 251.29 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).