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

C15H11ClFN3O2S — CID 26706922

IUPACN-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H11ClFN3O2S/c16-10-2-1-3-11(14(10)17)18-12(21)4-5-13-19-15(20-22-13)9-6-7-23-8-9/h1-3,6-8H,4-5H2,(H,18,21)
InChIKeyLIINBIRKEYOUPL-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.16
Rot. Bonds5

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

N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 26706922) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID26706922
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H11ClFN3O2S/c16-10-2-1-3-11(14(10)17)18-12(21)4-5-13-19-15(20-22-13)9-6-7-23-8-9/h1-3,6-8H,4-5H2,(H,18,21)
InChIKeyLIINBIRKEYOUPL-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 26706922) is N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is LIINBIRKEYOUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-10-2-1-3-11(14(10)17)18-12(21)4-5-13-19-15(20-22-13)9-6-7-23-8-9/h1-3,6-8H,4-5H2,(H,18,21).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 351.79 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 26706922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).