(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide

C16H10F3N3O2S — CID 43972310

IUPAC(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)11-5-3-10(4-6-11)14-21-22-15(24-14)20-13(23)8-7-12-2-1-9-25-12/h1-9H,(H,20,22,23)/b8-7+
InChIKeyGBLTUOFIAUYDPD-BQYQJAHWSA-N
MW365.34 g/mol
LogP4.47
Rot. Bonds4

About (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide

(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 43972310) has the molecular formula C16H10F3N3O2S and a molecular weight of 365.34 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID43972310
Molecular FormulaC16H10F3N3O2S
Molecular Weight365.34 g/mol
Exact Mass365.04
IUPAC Name(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)11-5-3-10(4-6-11)14-21-22-15(24-14)20-13(23)8-7-12-2-1-9-25-12/h1-9H,(H,20,22,23)/b8-7+
InChIKeyGBLTUOFIAUYDPD-BQYQJAHWSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.47
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
(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
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 71962687
(E)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 43972333
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
CID 155239262
(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 90534684
N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
CID 73010503
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43972313
N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 57303116
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 43972310) is (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide is O=C(/C=C/c1cccs1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is GBLTUOFIAUYDPD-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H10F3N3O2S/c17-16(18,19)11-5-3-10(4-6-11)14-21-22-15(24-14)20-13(23)8-7-12-2-1-9-25-12/h1-9H,(H,20,22,23)/b8-7+.
What are the key properties of (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 365.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 43972310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).