[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C20H19N3O6S — CID 18285226

IUPAC[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCOc1ccccc1-c1noc(COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C20H19N3O6S/c1-27-17-10-6-5-9-16(17)20-22-18(29-23-20)14-28-19(24)13-21-30(25,26)12-11-15-7-3-2-4-8-15/h2-12,21H,13-14H2,1H3/b12-11+
InChIKeyBVQRBGLELYSQSK-VAWYXSNFSA-N
MW429.45 g/mol
LogP2.38
Rot. Bonds9

About [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 18285226) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID18285226
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCOc1ccccc1-c1noc(COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C20H19N3O6S/c1-27-17-10-6-5-9-16(17)20-22-18(29-23-20)14-28-19(24)13-21-30(25,26)12-11-15-7-3-2-4-8-15/h2-12,21H,13-14H2,1H3/b12-11+
InChIKeyBVQRBGLELYSQSK-VAWYXSNFSA-N
XLogP2.38
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate with MolForge

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate
CID 3318697
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667408
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 55357349
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
CID 18171401
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-propan-2-ylphenoxy)acetate
CID 8598526
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810
N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110322979
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11925508
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
(2-fluorophenyl)methyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397922
benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110324084
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 18285226) is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is COc1ccccc1-c1noc(COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is BVQRBGLELYSQSK-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-27-17-10-6-5-9-16(17)20-22-18(29-23-20)14-28-19(24)13-21-30(25,26)12-11-15-7-3-2-4-8-15/h2-12,21H,13-14H2,1H3/b12-11+.
What are the key properties of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 429.45 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 18285226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).