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

C16H18N4OS — CID 134010931

IUPAC2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nccn2-c2cccc(C)c2C)o1
InChIInChI=1S/C16H18N4OS/c1-4-14-18-19-15(21-14)10-22-16-17-8-9-20(16)13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3
InChIKeyJGPUJNPPDPJXHM-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.73
Rot. Bonds5

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

2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 134010931) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID134010931
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nccn2-c2cccc(C)c2C)o1
InChIInChI=1S/C16H18N4OS/c1-4-14-18-19-15(21-14)10-22-16-17-8-9-20(16)13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3
InChIKeyJGPUJNPPDPJXHM-UHFFFAOYSA-N
XLogP3.73
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 134010930
1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134010897
2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 35586810
5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 55552695
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 35362373
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 87043617
2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 18139087
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol
CID 38659451

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole (CID 134010931) is 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CSc2nccn2-c2cccc(C)c2C)o1.
What is the InChIKey of 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is JGPUJNPPDPJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-14-18-19-15(21-14)10-22-16-17-8-9-20(16)13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 314.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 134010931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).