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

C17H15N3O2S — CID 7655542

IUPAC(E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1C
InChIInChI=1S/C17H15N3O2S/c1-11-5-6-13(10-12(11)2)16-19-20-17(22-16)18-15(21)8-7-14-4-3-9-23-14/h3-10H,1-2H3,(H,18,20,21)/b8-7+
InChIKeyHSUKQGROCDFCDG-BQYQJAHWSA-N
MW325.39 g/mol
LogP4.07
Rot. Bonds4

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

(E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 7655542) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID7655542
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1C
InChIInChI=1S/C17H15N3O2S/c1-11-5-6-13(10-12(11)2)16-19-20-17(22-16)18-15(21)8-7-14-4-3-9-23-14/h3-10H,1-2H3,(H,18,20,21)/b8-7+
InChIKeyHSUKQGROCDFCDG-BQYQJAHWSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6272686
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 78756281
(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43972310
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 74907246
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 71962687
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 7655542) is (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is Cc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1C.
What is the InChIKey of (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HSUKQGROCDFCDG-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-5-6-13(10-12(11)2)16-19-20-17(22-16)18-15(21)8-7-14-4-3-9-23-14/h3-10H,1-2H3,(H,18,20,21)/b8-7+.
What are the key properties of (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 325.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 7655542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).