N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

C15H9Cl2N3O2S — CID 71962687

IUPACN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H9Cl2N3O2S/c16-9-3-5-12(17)11(8-9)14-19-20-15(22-14)18-13(21)6-4-10-2-1-7-23-10/h1-8H,(H,18,20,21)
InChIKeyMEGRKQMNEDZCJO-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.76
Rot. Bonds4

About N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71962687) has the molecular formula C15H9Cl2N3O2S and a molecular weight of 366.23 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71962687
Molecular FormulaC15H9Cl2N3O2S
Molecular Weight366.23 g/mol
Exact Mass364.98
IUPAC NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H9Cl2N3O2S/c16-9-3-5-12(17)11(8-9)14-19-20-15(22-14)18-13(21)6-4-10-2-1-7-23-10/h1-8H,(H,18,20,21)
InChIKeyMEGRKQMNEDZCJO-UHFFFAOYSA-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 N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-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)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 7655542
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 74907246
(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43972310
(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6272686
(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43976983
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
5-bromo-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16821719
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 7533192
(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 55336540
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085860

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 71962687) is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MEGRKQMNEDZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2S/c16-9-3-5-12(17)11(8-9)14-19-20-15(22-14)18-13(21)6-4-10-2-1-7-23-10/h1-8H,(H,18,20,21).
What are the key properties of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-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 N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71962687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).