N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

C16H14FN3O2S — CID 95100276

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESC[C@H](NC(=O)Cc1nnc(-c2ccsc2)o1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10(11-2-4-13(17)5-3-11)18-14(21)8-15-19-20-16(22-15)12-6-7-23-9-12/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyUCYFSFYJMIHPKE-JTQLQIEISA-N
MW331.37 g/mol
LogP3.36
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 95100276) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID95100276
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESC[C@H](NC(=O)Cc1nnc(-c2ccsc2)o1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10(11-2-4-13(17)5-3-11)18-14(21)8-15-19-20-16(22-15)12-6-7-23-9-12/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyUCYFSFYJMIHPKE-JTQLQIEISA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 95100276) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is C[C@H](NC(=O)Cc1nnc(-c2ccsc2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is UCYFSFYJMIHPKE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10(11-2-4-13(17)5-3-11)18-14(21)8-15-19-20-16(22-15)12-6-7-23-9-12/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 95100276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).