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

C17H10Cl3N3O2 — CID 43976983

IUPAC(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H10Cl3N3O2/c18-11-6-7-12(14(20)9-11)16-22-23-17(25-16)21-15(24)8-5-10-3-1-2-4-13(10)19/h1-9H,(H,21,23,24)/b8-5+
InChIKeyNIKISJORYGTARS-VMPITWQZSA-N
MW394.65 g/mol
LogP5.35
Rot. Bonds4

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

(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 43976983) has the molecular formula C17H10Cl3N3O2 and a molecular weight of 394.65 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID43976983
Molecular FormulaC17H10Cl3N3O2
Molecular Weight394.65 g/mol
Exact Mass392.98
IUPAC Name(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H10Cl3N3O2/c18-11-6-7-12(14(20)9-11)16-22-23-17(25-16)21-15(24)8-5-10-3-1-2-4-13(10)19/h1-9H,(H,21,23,24)/b8-5+
InChIKeyNIKISJORYGTARS-VMPITWQZSA-N
XLogP5.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 6012658
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 71962268
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 5185539
(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 7295048
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 71962687
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
CID 43977044
3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 43976983) is (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is NIKISJORYGTARS-VMPITWQZSA-N. The full InChI is InChI=1S/C17H10Cl3N3O2/c18-11-6-7-12(14(20)9-11)16-22-23-17(25-16)21-15(24)8-5-10-3-1-2-4-13(10)19/h1-9H,(H,21,23,24)/b8-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 394.65 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 43976983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).