5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

C12H12N4OS — CID 115918016

IUPAC5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2ccnc2-c2cccs2)no1
InChIInChI=1S/C12H12N4OS/c1-2-11-14-10(15-17-11)8-16-6-5-13-12(16)9-4-3-7-18-9/h3-7H,2,8H2,1H3
InChIKeyRGVVRYJYERWOJF-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.61
Rot. Bonds4

About 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 115918016) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID115918016
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2ccnc2-c2cccs2)no1
InChIInChI=1S/C12H12N4OS/c1-2-11-14-10(15-17-11)8-16-6-5-13-12(16)9-4-3-7-18-9/h3-7H,2,8H2,1H3
InChIKeyRGVVRYJYERWOJF-UHFFFAOYSA-N
XLogP2.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
CID 116621627
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
CID 115917986
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 146040951
5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886573

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 115918016) is 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is CCc1nc(Cn2ccnc2-c2cccs2)no1.
What is the InChIKey of 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RGVVRYJYERWOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-11-14-10(15-17-11)8-16-6-5-13-12(16)9-4-3-7-18-9/h3-7H,2,8H2,1H3.
What are the key properties of 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 260.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 115918016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).