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

C16H14FN3O2S — CID 36666041

IUPACN-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C16H14FN3O2S/c1-10-4-5-11(17)12(9-10)18-14(21)6-7-15-19-16(20-22-15)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyLGLXVILHTLQZTA-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.82
Rot. Bonds5

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

N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 36666041) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID36666041
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C16H14FN3O2S/c1-10-4-5-11(17)12(9-10)18-14(21)6-7-15-19-16(20-22-15)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyLGLXVILHTLQZTA-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229501
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55467129
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012645
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
3-methyl-N-(2-methylpropyl)-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 49340061
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
4-methoxy-N-methyl-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 87001861
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 52615179

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 36666041) is N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(F)c(NC(=O)CCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is LGLXVILHTLQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-4-5-11(17)12(9-10)18-14(21)6-7-15-19-16(20-22-15)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 36666041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).