N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C17H15FN4O3S — CID 38019003

IUPACN-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(=O)Nc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)ccc1F
InChIInChI=1S/C17H15FN4O3S/c1-10(23)19-14-8-12(2-3-13(14)18)20-15(24)4-5-16-21-22-17(25-16)11-6-7-26-9-11/h2-3,6-9H,4-5H2,1H3,(H,19,23)(H,20,24)
InChIKeyKQWMAOOFFTUPHG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.47
Rot. Bonds6

About N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38019003) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38019003
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(=O)Nc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)ccc1F
InChIInChI=1S/C17H15FN4O3S/c1-10(23)19-14-8-12(2-3-13(14)18)20-15(24)4-5-16-21-22-17(25-16)11-6-7-26-9-11/h2-3,6-9H,4-5H2,1H3,(H,19,23)(H,20,24)
InChIKeyKQWMAOOFFTUPHG-UHFFFAOYSA-N
XLogP3.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906371
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 126786079
N-[2-fluoro-5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 46469741
N-(3,4-dimethylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161999
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38022358
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55672045
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38019003) is N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(=O)Nc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is KQWMAOOFFTUPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-10(23)19-14-8-12(2-3-13(14)18)20-15(24)4-5-16-21-22-17(25-16)11-6-7-26-9-11/h2-3,6-9H,4-5H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38019003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).