5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

C20H17N3O2 — CID 4916212

IUPAC5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1
InChIInChI=1S/C20H17N3O2/c1-2-24-18-11-7-16(8-12-18)20-21-19(22-25-20)15-5-9-17(10-6-15)23-13-3-4-14-23/h3-14H,2H2,1H3
InChIKeyAJDIKOQIHQXXBC-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.59
Rot. Bonds5

About 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 4916212) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID4916212
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1
InChIInChI=1S/C20H17N3O2/c1-2-24-18-11-7-16(8-12-18)20-21-19(22-25-20)15-5-9-17(10-6-15)23-13-3-4-14-23/h3-14H,2H2,1H3
InChIKeyAJDIKOQIHQXXBC-UHFFFAOYSA-N
XLogP4.59
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

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Related Compounds

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
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 134593682
5-pyridin-3-yl-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916274
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 42585039
3-(4-ethoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46052852
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
3-(4-heptoxyphenyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095312
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole (CID 4916212) is 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is AJDIKOQIHQXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-24-18-11-7-16(8-12-18)20-21-19(22-25-20)15-5-9-17(10-6-15)23-13-3-4-14-23/h3-14H,2H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4916212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).