3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole

C8H10N4O — CID 94069276

IUPAC3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C8H10N4O/c1-5(2)7-10-8(13-12-7)6-3-4-9-11-6/h3-5H,1-2H3,(H,9,11)
InChIKeyHKTUCHDZNNWYDP-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

About 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 94069276) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID94069276
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C8H10N4O/c1-5(2)7-10-8(13-12-7)6-3-4-9-11-6/h3-5H,1-2H3,(H,9,11)
InChIKeyHKTUCHDZNNWYDP-UHFFFAOYSA-N
XLogP1.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 112571866
N',N'-dimethyl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635174
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592
2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63078570
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94069279
3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069261
2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine
CID 170448703
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136740797
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]hydrazine
CID 56766834

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 94069276) is 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is CC(C)c1noc(-c2ccn[nH]2)n1.
What is the InChIKey of 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HKTUCHDZNNWYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(2)7-10-8(13-12-7)6-3-4-9-11-6/h3-5H,1-2H3,(H,9,11).
What are the key properties of 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 94069276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).