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

C18H16N4O2 — CID 53030827

IUPAC5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3C)no1
InChIInChI=1S/C18H16N4O2/c1-3-23-16-7-5-4-6-13(16)18-20-17(21-24-18)12-8-9-15-14(10-12)19-11-22(15)2/h4-11H,3H2,1-2H3
InChIKeyUYGDZGSITWSOPZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.69
Rot. Bonds4

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

5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030827) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030827
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3C)no1
InChIInChI=1S/C18H16N4O2/c1-3-23-16-7-5-4-6-13(16)18-20-17(21-24-18)12-8-9-15-14(10-12)19-11-22(15)2/h4-11H,3H2,1-2H3
InChIKeyUYGDZGSITWSOPZ-UHFFFAOYSA-N
XLogP3.69
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030882
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
5-[(3,4-diethoxyphenyl)methyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030841
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
5-[4-(benzylsulfonylmethyl)phenyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030804
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 146297070
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065890
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030827) is 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3C)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UYGDZGSITWSOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-23-16-7-5-4-6-13(16)18-20-17(21-24-18)12-8-9-15-14(10-12)19-11-22(15)2/h4-11H,3H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 320.35 g/mol, XLogP of 3.69, 4 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-methylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).