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

C19H18N4O2 — CID 53030882

IUPAC5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CC)no1
InChIInChI=1S/C19H18N4O2/c1-3-23-12-20-15-11-13(9-10-16(15)23)18-21-19(25-22-18)14-7-5-6-8-17(14)24-4-2/h5-12H,3-4H2,1-2H3
InChIKeyNAQXBIOYAALOSV-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.17
Rot. Bonds5

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

5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030882) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030882
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CC)no1
InChIInChI=1S/C19H18N4O2/c1-3-23-12-20-15-11-13(9-10-16(15)23)18-21-19(25-22-18)14-7-5-6-8-17(14)24-4-2/h5-12H,3-4H2,1-2H3
InChIKeyNAQXBIOYAALOSV-UHFFFAOYSA-N
XLogP4.17
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030882) is 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CC)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is NAQXBIOYAALOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-23-12-20-15-11-13(9-10-16(15)23)18-21-19(25-22-18)14-7-5-6-8-17(14)24-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 334.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).