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

C19H19N3O5S — CID 43975288

IUPAC2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nnc(Cc3ccc(S(C)(=O)=O)cc3)o2)c1
InChIInChI=1S/C19H19N3O5S/c1-26-15-5-3-4-14(10-15)11-17(23)20-19-22-21-18(27-19)12-13-6-8-16(9-7-13)28(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyXPVRMDXQYIWUCW-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.25
Rot. Bonds7

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

2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43975288) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43975288
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nnc(Cc3ccc(S(C)(=O)=O)cc3)o2)c1
InChIInChI=1S/C19H19N3O5S/c1-26-15-5-3-4-14(10-15)11-17(23)20-19-22-21-18(27-19)12-13-6-8-16(9-7-13)28(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyXPVRMDXQYIWUCW-UHFFFAOYSA-N
XLogP2.25
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975016
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43974404
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
3-methoxy-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974806
2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
2,6-difluoro-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975144
2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973309
3-ethylsulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975189
2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973422
3-ethylsulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975188
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 16917468
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43975288) is 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nnc(Cc3ccc(S(C)(=O)=O)cc3)o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is XPVRMDXQYIWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-26-15-5-3-4-14(10-15)11-17(23)20-19-22-21-18(27-19)12-13-6-8-16(9-7-13)28(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43975288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).