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

C19H16ClN3O4 — CID 5185539

IUPAC3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)C=Cc3ccccc3Cl)o2)c1
InChIInChI=1S/C19H16ClN3O4/c1-25-14-9-13(10-15(11-14)26-2)18-22-23-19(27-18)21-17(24)8-7-12-5-3-4-6-16(12)20/h3-11H,1-2H3,(H,21,23,24)
InChIKeySKJVDWCMJBECFZ-UHFFFAOYSA-N
MW385.81 g/mol
LogP4.06
Rot. Bonds6

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

3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 5185539) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID5185539
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)C=Cc3ccccc3Cl)o2)c1
InChIInChI=1S/C19H16ClN3O4/c1-25-14-9-13(10-15(11-14)26-2)18-22-23-19(27-18)21-17(24)8-7-12-5-3-4-6-16(12)20/h3-11H,1-2H3,(H,21,23,24)
InChIKeySKJVDWCMJBECFZ-UHFFFAOYSA-N
XLogP4.06
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74908853
(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 7295048
(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43976983
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 71962268
(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 6012658
3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022288
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 5098329
(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6272686
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 4075839
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 5185539) is 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is COc1cc(OC)cc(-c2nnc(NC(=O)C=Cc3ccccc3Cl)o2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is SKJVDWCMJBECFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-25-14-9-13(10-15(11-14)26-2)18-22-23-19(27-18)21-17(24)8-7-12-5-3-4-6-16(12)20/h3-11H,1-2H3,(H,21,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 385.81 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 5185539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).