3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole

C20H18N4O2 — CID 14473609

IUPAC3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2cn(-c3ccccc3OCc3ccccc3)cn2)n1
InChIInChI=1S/C20H18N4O2/c1-2-19-22-20(26-23-19)16-12-24(14-21-16)17-10-6-7-11-18(17)25-13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyISROYRYEUNPACE-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.06
Rot. Bonds6

About 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole

3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole (PubChem CID 14473609) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
PubChem CID14473609
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2cn(-c3ccccc3OCc3ccccc3)cn2)n1
InChIInChI=1S/C20H18N4O2/c1-2-19-22-20(26-23-19)16-12-24(14-21-16)17-10-6-7-11-18(17)25-13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyISROYRYEUNPACE-UHFFFAOYSA-N
XLogP4.06
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
CID 14473619
3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
CID 15069632
cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 167937797
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine
CID 134806295
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178816
N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
CID 118348740
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole (CID 14473609) is 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole is CCc1noc(-c2cn(-c3ccccc3OCc3ccccc3)cn2)n1.
What is the InChIKey of 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is ISROYRYEUNPACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-19-22-20(26-23-19)16-12-24(14-21-16)17-10-6-7-11-18(17)25-13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3.
What are the key properties of 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 14473609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).