N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

C16H14FN3O3S — CID 9455138

IUPACN-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c(F)c1
InChIInChI=1S/C16H14FN3O3S/c1-10-4-5-12(11(17)9-10)18-14(21)6-7-20-16(22)23-15(19-20)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyHFGZLITVEDRXGI-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.04
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (PubChem CID 9455138) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
PubChem CID9455138
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c(F)c1
InChIInChI=1S/C16H14FN3O3S/c1-10-4-5-12(11(17)9-10)18-14(21)6-7-20-16(22)23-15(19-20)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyHFGZLITVEDRXGI-UHFFFAOYSA-N
XLogP3.04
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (CID 9455138) is N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The InChIKey is HFGZLITVEDRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-10-4-5-12(11(17)9-10)18-14(21)6-7-20-16(22)23-15(19-20)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide has a molecular weight of 347.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 9455138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).