5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C24H30N4O4S — CID 98727506

IUPAC5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CS(=O)(=O)c3nc(C)c(C)n3[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1
InChIInChI=1S/C24H30N4O4S/c1-14-15(2)28(16(3)21-12-17-5-6-19(21)11-17)24(25-14)33(29,30)13-22-26-23(27-32-22)18-7-9-20(31-4)10-8-18/h7-10,16-17,19,21H,5-6,11-13H2,1-4H3/t16-,17+,19+,21+/m1/s1
InChIKeyLZFIWPSLGFMDGS-IGGJEDBVSA-N
MW470.60 g/mol
LogP4.53
Rot. Bonds7

About 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 98727506) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID98727506
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CS(=O)(=O)c3nc(C)c(C)n3[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1
InChIInChI=1S/C24H30N4O4S/c1-14-15(2)28(16(3)21-12-17-5-6-19(21)11-17)24(25-14)33(29,30)13-22-26-23(27-32-22)18-7-9-20(31-4)10-8-18/h7-10,16-17,19,21H,5-6,11-13H2,1-4H3/t16-,17+,19+,21+/m1/s1
InChIKeyLZFIWPSLGFMDGS-IGGJEDBVSA-N
XLogP4.53
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30849548
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
CID 11923534
2-[1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 98450804
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51218898
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
CID 24948549
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 98438479
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 98727506) is 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CS(=O)(=O)c3nc(C)c(C)n3[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1.
What is the InChIKey of 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LZFIWPSLGFMDGS-IGGJEDBVSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-14-15(2)28(16(3)21-12-17-5-6-19(21)11-17)24(25-14)33(29,30)13-22-26-23(27-32-22)18-7-9-20(31-4)10-8-18/h7-10,16-17,19,21H,5-6,11-13H2,1-4H3/t16-,17+,19+,21+/m1/s1.
What are the key properties of 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 470.60 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 98727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).