(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C17H15FN4O2S — CID 47087599

IUPAC(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC(C)c2nc(-c3ccc(F)cc3)no2)cs1
InChIInChI=1S/C17H15FN4O2S/c1-10(19-15(23)8-7-14-9-25-11(2)20-14)17-21-16(22-24-17)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,23)/b8-7+
InChIKeySTZIDZIGICURRT-BQYQJAHWSA-N
MW358.40 g/mol
LogP3.53
Rot. Bonds5

About (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 47087599) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID47087599
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC(C)c2nc(-c3ccc(F)cc3)no2)cs1
InChIInChI=1S/C17H15FN4O2S/c1-10(19-15(23)8-7-14-9-25-11(2)20-14)17-21-16(22-24-17)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,23)/b8-7+
InChIKeySTZIDZIGICURRT-BQYQJAHWSA-N
XLogP3.53
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-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

4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 24683998
N-[1-(4-fluorophenoxy)propan-2-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 103598257
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
(E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51308907
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide
CID 95151402
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
(Z)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 98375628
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(N-methylanilino)acetamide
CID 49218594

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 47087599) is (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)NC(C)c2nc(-c3ccc(F)cc3)no2)cs1.
What is the InChIKey of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is STZIDZIGICURRT-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-10(19-15(23)8-7-14-9-25-11(2)20-14)17-21-16(22-24-17)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,23)/b8-7+.
What are the key properties of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 47087599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).