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

C11H10N4OS — CID 115917888

IUPAC5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2ccnc2-c2cccs2)no1
InChIInChI=1S/C11H10N4OS/c1-8-13-10(14-16-8)7-15-5-4-12-11(15)9-3-2-6-17-9/h2-6H,7H2,1H3
InChIKeyWOKLRMDHFIRAOF-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.35
Rot. Bonds3

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

5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 115917888) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID115917888
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2ccnc2-c2cccs2)no1
InChIInChI=1S/C11H10N4OS/c1-8-13-10(14-16-8)7-15-5-4-12-11(15)9-3-2-6-17-9/h2-6H,7H2,1H3
InChIKeyWOKLRMDHFIRAOF-UHFFFAOYSA-N
XLogP2.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115918016
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
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
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
CID 103931151
2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline
CID 115917904
1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
CID 116621633
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582424
1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 106869997

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 115917888) is 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nc(Cn2ccnc2-c2cccs2)no1.
What is the InChIKey of 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WOKLRMDHFIRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-8-13-10(14-16-8)7-15-5-4-12-11(15)9-3-2-6-17-9/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 246.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 115917888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).