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

C21H20N4O3 — CID 42585039

IUPAC3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4ccc(OCC)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C21H20N4O3/c1-3-26-16-9-5-14(6-10-16)18-13-19(24-23-18)21-22-20(25-28-21)15-7-11-17(12-8-15)27-4-2/h5-13H,3-4H2,1-2H3,(H,23,24)
InChIKeyAMVRCYYRZGDDLF-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.59
Rot. Bonds7

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

3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 42585039) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID42585039
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4ccc(OCC)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C21H20N4O3/c1-3-26-16-9-5-14(6-10-16)18-13-19(24-23-18)21-22-20(25-28-21)15-7-11-17(12-8-15)27-4-2/h5-13H,3-4H2,1-2H3,(H,23,24)
InChIKeyAMVRCYYRZGDDLF-UHFFFAOYSA-N
XLogP4.59
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 18591770
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
3-(1,3-benzodioxol-5-yl)-5-[3-(4-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 53022148
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 42851412
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
5-(4-ethoxyphenyl)-3-(3-iodo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 66614989
3-(4-ethoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46052852

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 42585039) is 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2cc(-c3nc(-c4ccc(OCC)cc4)no3)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is AMVRCYYRZGDDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-26-16-9-5-14(6-10-16)18-13-19(24-23-18)21-22-20(25-28-21)15-7-11-17(12-8-15)27-4-2/h5-13H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 376.42 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 42585039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).