3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole

C20H16N2O2S — CID 173089930

IUPAC3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1csc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C20H16N2O2S/c1-2-14-12-18(25-13-14)19-21-20(24-22-19)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-13H,2H2,1H3
InChIKeyKBWGAUMEGIPPDJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.82
Rot. Bonds5

About 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole

3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole (PubChem CID 173089930) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole
PubChem CID173089930
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1csc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C20H16N2O2S/c1-2-14-12-18(25-13-14)19-21-20(24-22-19)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-13H,2H2,1H3
InChIKeyKBWGAUMEGIPPDJ-UHFFFAOYSA-N
XLogP5.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[3-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylate
CID 68526846
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
1-[[4-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 57396699
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole
CID 116892186
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
3-amino-4-[[3-chloro-4-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]-4-oxobutanoic acid
CID 175168920
3-methyl-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 172890266
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
1-[[4-[5-[4-(3-methylphenoxy)phenyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 57400137
[5-[5-[4-(2-chlorophenoxy)phenyl]-1,2,4-oxadiazol-3-yl]-4-ethylthiophen-2-yl]methanol
CID 68522825

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole (CID 173089930) is 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole is CCc1csc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)c1.
What is the InChIKey of 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is KBWGAUMEGIPPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-2-14-12-18(25-13-14)19-21-20(24-22-19)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-13H,2H2,1H3.
What are the key properties of 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole?
3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 173089930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).