2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C22H20N4O2S — CID 30293162

IUPAC2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CSc3ncc(-c4ccccc4)n3C3CC3)o2)cc1
InChIInChI=1S/C22H20N4O2S/c1-27-18-11-7-16(8-12-18)21-25-24-20(28-21)14-29-22-23-13-19(26(22)17-9-10-17)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3
InChIKeyCLMVDIFOPXQVRV-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.24
Rot. Bonds7

About 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 30293162) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID30293162
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CSc3ncc(-c4ccccc4)n3C3CC3)o2)cc1
InChIInChI=1S/C22H20N4O2S/c1-27-18-11-7-16(8-12-18)21-25-24-20(28-21)14-29-22-23-13-19(26(22)17-9-10-17)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3
InChIKeyCLMVDIFOPXQVRV-UHFFFAOYSA-N
XLogP5.24
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24623096
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 30404381
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 7665399
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17437882
1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole
CID 18269275
3-cyclopropyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 38838885
2-(4-chlorophenyl)-5-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8723130
N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
methyl 4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]benzoate
CID 18267471
2-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazole
CID 142831314
2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 34172318
1-[3-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 18275943

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 30293162) is 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(CSc3ncc(-c4ccccc4)n3C3CC3)o2)cc1.
What is the InChIKey of 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is CLMVDIFOPXQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-27-18-11-7-16(8-12-18)21-25-24-20(28-21)14-29-22-23-13-19(26(22)17-9-10-17)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3.
What are the key properties of 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 404.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 30293162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).