3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide

C19H18FN3O3S — CID 126461183

IUPAC3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(=O)c1ccc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)s1
InChIInChI=1S/C19H18FN3O3S/c1-12(24)15-6-7-16(27-15)19-23-22-18(26-19)9-8-17(25)21-11-10-13-4-2-3-5-14(13)20/h2-7H,8-11H2,1H3,(H,21,25)
InChIKeyWTMGVVXISLUBDV-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.43
Rot. Bonds8

About 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide

3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 126461183) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID126461183
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(=O)c1ccc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)s1
InChIInChI=1S/C19H18FN3O3S/c1-12(24)15-6-7-16(27-15)19-23-22-18(26-19)9-8-17(25)21-11-10-13-4-2-3-5-14(13)20/h2-7H,8-11H2,1H3,(H,21,25)
InChIKeyWTMGVVXISLUBDV-UHFFFAOYSA-N
XLogP3.43
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 126461183) is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide is CC(=O)c1ccc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)s1.
What is the InChIKey of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is WTMGVVXISLUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12(24)15-6-7-16(27-15)19-23-22-18(26-19)9-8-17(25)21-11-10-13-4-2-3-5-14(13)20/h2-7H,8-11H2,1H3,(H,21,25).
What are the key properties of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 126461183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).