(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide

C19H16ClN3O4S — CID 43975112

IUPAC(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCS(=O)(=O)c1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H16ClN3O4S/c1-28(25,26)15-9-6-13(7-10-15)12-18-22-23-19(27-18)21-17(24)11-8-14-4-2-3-5-16(14)20/h2-11H,12H2,1H3,(H,21,23,24)/b11-8+
InChIKeyQFAHGDZGFMRGEE-DHZHZOJOSA-N
MW417.87 g/mol
LogP3.37
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 43975112) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID43975112
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC Name(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCS(=O)(=O)c1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H16ClN3O4S/c1-28(25,26)15-9-6-13(7-10-15)12-18-22-23-19(27-18)21-17(24)11-8-14-4-2-3-5-16(14)20/h2-11H,12H2,1H3,(H,21,23,24)/b11-8+
InChIKeyQFAHGDZGFMRGEE-DHZHZOJOSA-N
XLogP3.37
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 43975061
(E)-N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-phenylprop-2-enamide
CID 16917343
3-phenyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74907270
2,6-difluoro-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975144
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43975259
(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 6012658
N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975049
3-(2-chlorophenyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74908853
3-ethylsulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975189
5-[(4-methylsulfonylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 167780728

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 43975112) is (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide is CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is QFAHGDZGFMRGEE-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-28(25,26)15-9-6-13(7-10-15)12-18-22-23-19(27-18)21-17(24)11-8-14-4-2-3-5-16(14)20/h2-11H,12H2,1H3,(H,21,23,24)/b11-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 417.87 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 43975112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).