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

C8H10N4O2 — CID 94069261

IUPAC3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C8H10N4O2/c1-13-5-3-7-10-8(14-12-7)6-2-4-9-11-6/h2,4H,3,5H2,1H3,(H,9,11)
InChIKeyLMWKJPQTGMOCAI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.65
Rot. Bonds4

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

3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 94069261) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID94069261
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C8H10N4O2/c1-13-5-3-7-10-8(14-12-7)6-2-4-9-11-6/h2,4H,3,5H2,1H3,(H,9,11)
InChIKeyLMWKJPQTGMOCAI-UHFFFAOYSA-N
XLogP0.65
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592
5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 94069316
3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 112571866
3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069276
5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 115079641
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
CID 61412494
3-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114002284
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65095158

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 94069261) is 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is COCCc1noc(-c2ccn[nH]2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is LMWKJPQTGMOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-13-5-3-7-10-8(14-12-7)6-2-4-9-11-6/h2,4H,3,5H2,1H3,(H,9,11).
What are the key properties of 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 194.19 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 94069261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).