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

C15H9Cl2N3O2S — CID 6012658

IUPAC(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C15H9Cl2N3O2S/c16-10-4-2-1-3-9(10)5-8-13(21)18-15-20-19-14(22-15)11-6-7-12(17)23-11/h1-8H,(H,18,20,21)/b8-5+
InChIKeyVIGHYBAUBOSHTN-VMPITWQZSA-N
MW366.23 g/mol
LogP4.76
Rot. Bonds4

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

(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 6012658) has the molecular formula C15H9Cl2N3O2S and a molecular weight of 366.23 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID6012658
Molecular FormulaC15H9Cl2N3O2S
Molecular Weight366.23 g/mol
Exact Mass364.98
IUPAC Name(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C15H9Cl2N3O2S/c16-10-4-2-1-3-9(10)5-8-13(21)18-15-20-19-14(22-15)11-6-7-12(17)23-11/h1-8H,(H,18,20,21)/b8-5+
InChIKeyVIGHYBAUBOSHTN-VMPITWQZSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-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

(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
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
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-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43975112
(3S)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2104594
3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 4085017
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022288
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2057813

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 6012658) is (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is VIGHYBAUBOSHTN-VMPITWQZSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2S/c16-10-4-2-1-3-9(10)5-8-13(21)18-15-20-19-14(22-15)11-6-7-12(17)23-11/h1-8H,(H,18,20,21)/b8-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 366.23 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 6012658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).