3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole

C16H20N4O2 — CID 53172748

IUPAC3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole
SMILESCCOCc1nc(-c2ccc3nc(CC)n(CC)c3c2)no1
InChIInChI=1S/C16H20N4O2/c1-4-14-17-12-8-7-11(9-13(12)20(14)5-2)16-18-15(22-19-16)10-21-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyOEDYSJFHYZIPFF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.21
Rot. Bonds6

About 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole

3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole (PubChem CID 53172748) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole
PubChem CID53172748
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole
SMILESCCOCc1nc(-c2ccc3nc(CC)n(CC)c3c2)no1
InChIInChI=1S/C16H20N4O2/c1-4-14-17-12-8-7-11(9-13(12)20(14)5-2)16-18-15(22-19-16)10-21-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyOEDYSJFHYZIPFF-UHFFFAOYSA-N
XLogP3.21
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53172758
N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 95102314
N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 78953778
ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 144545178
ethane;2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 144545214
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24549115
6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 10023597
[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
3-(3-bromo-4-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 2040223
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole (CID 53172748) is 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole is CCOCc1nc(-c2ccc3nc(CC)n(CC)c3c2)no1.
What is the InChIKey of 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is OEDYSJFHYZIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-14-17-12-8-7-11(9-13(12)20(14)5-2)16-18-15(22-19-16)10-21-6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole?
3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).