5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

C20H20N4O2 — CID 53030936

IUPAC5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2cc(-c3noc(-c4ccc(OCC)cc4)n3)ccc21
InChIInChI=1S/C20H20N4O2/c1-3-11-24-13-21-17-12-15(7-10-18(17)24)19-22-20(26-23-19)14-5-8-16(9-6-14)25-4-2/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyHXLCMOPZDSPTSX-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.56
Rot. Bonds6

About 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030936) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030936
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2cc(-c3noc(-c4ccc(OCC)cc4)n3)ccc21
InChIInChI=1S/C20H20N4O2/c1-3-11-24-13-21-17-12-15(7-10-18(17)24)19-22-20(26-23-19)14-5-8-16(9-6-14)25-4-2/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyHXLCMOPZDSPTSX-UHFFFAOYSA-N
XLogP4.56
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030938
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53172731
5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030882
5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030861
5-[(4-fluorophenyl)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030926
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030909
3-[5-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031712

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030936) is 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCCn1cnc2cc(-c3noc(-c4ccc(OCC)cc4)n3)ccc21.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HXLCMOPZDSPTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-11-24-13-21-17-12-15(7-10-18(17)24)19-22-20(26-23-19)14-5-8-16(9-6-14)25-4-2/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 348.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).