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

C14H14N4O2 — CID 94069225

IUPAC3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C14H14N4O2/c1-3-19-12-7-5-4-6-10(12)13-15-14(20-18-13)11-8-9(2)16-17-11/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyUDQYLVTUBIHEID-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.83
Rot. Bonds4

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

3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 94069225) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID94069225
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C14H14N4O2/c1-3-19-12-7-5-4-6-10(12)13-15-14(20-18-13)11-8-9(2)16-17-11/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyUDQYLVTUBIHEID-UHFFFAOYSA-N
XLogP2.83
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 115533139
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
5-[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 154854498
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128784
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 94069225) is 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1noc(-c2cc(C)[nH]n2)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is UDQYLVTUBIHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-19-12-7-5-4-6-10(12)13-15-14(20-18-13)11-8-9(2)16-17-11/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 94069225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).