N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide

C22H21N5O4S — CID 17431109

IUPACN-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccc(-n2ccnc2SCc2nc(CC(=O)Nc3ccccc3OC)no2)cc1
InChIInChI=1S/C22H21N5O4S/c1-29-16-9-7-15(8-10-16)27-12-11-23-22(27)32-14-21-25-19(26-31-21)13-20(28)24-17-5-3-4-6-18(17)30-2/h3-12H,13-14H2,1-2H3,(H,24,28)
InChIKeyMHNBKVVYAUJBDT-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.75
Rot. Bonds9

About N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide

N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 17431109) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID17431109
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC NameN-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccc(-n2ccnc2SCc2nc(CC(=O)Nc3ccccc3OC)no2)cc1
InChIInChI=1S/C22H21N5O4S/c1-29-16-9-7-15(8-10-16)27-12-11-23-22(27)32-14-21-25-19(26-31-21)13-20(28)24-17-5-3-4-6-18(17)30-2/h3-12H,13-14H2,1-2H3,(H,24,28)
InChIKeyMHNBKVVYAUJBDT-UHFFFAOYSA-N
XLogP3.75
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 4965395
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
2-[5-[[4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 4842918
5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163
3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 33232773
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 43027762
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 17431109) is N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is COc1ccc(-n2ccnc2SCc2nc(CC(=O)Nc3ccccc3OC)no2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is MHNBKVVYAUJBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-29-16-9-7-15(8-10-16)27-12-11-23-22(27)32-14-21-25-19(26-31-21)13-20(28)24-17-5-3-4-6-18(17)30-2/h3-12H,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 451.51 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 17431109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).