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

C19H16N4O2S — CID 33232773

IUPAC3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-24-16-9-7-14(8-10-16)18-21-17(25-22-18)13-26-19-20-11-12-23(19)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyIWXKJFDZAVVKOW-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.22
Rot. Bonds6

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

3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 33232773) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID33232773
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-24-16-9-7-14(8-10-16)18-21-17(25-22-18)13-26-19-20-11-12-23(19)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyIWXKJFDZAVVKOW-UHFFFAOYSA-N
XLogP4.22
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163
5-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 18291133
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 26968857
3-(4-ethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 25348037
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18192132
N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
3-(4-methoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 37283773
2-(4-methoxyphenyl)-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33011957
3-(4-ethoxyphenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 3902949
5-[[4-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 23605374
5-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16539049
5-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32656314

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 33232773) is 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is IWXKJFDZAVVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-24-16-9-7-14(8-10-16)18-21-17(25-22-18)13-26-19-20-11-12-23(19)15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 364.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 33232773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).