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

C15H12FN3O2S — CID 39895184

IUPACN-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)9-17-13(20)8-14-18-19-15(21-14)12-2-1-7-22-12/h1-7H,8-9H2,(H,17,20)
InChIKeySMJLCMOIQYTJSG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.80
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 39895184) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID39895184
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)9-17-13(20)8-14-18-19-15(21-14)12-2-1-7-22-12/h1-7H,8-9H2,(H,17,20)
InChIKeySMJLCMOIQYTJSG-UHFFFAOYSA-N
XLogP2.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-thiophen-2-ylmethyl-acetamide
CID 646769
N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2998244
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 5840375
(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 44062105
(3-(5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 44067666
2-(4-Fluorophenyl)-1-(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 44067667
(2,4-Difluorophenyl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067684
(3,4-Difluorophenyl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067685
(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 45540974
2-(5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl)-N-(4-(methylthio)benzyl)acetamide
CID 52906330
N-(2-fluorophenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906362
N-(5-fluoro-2-methylphenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906366

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 39895184) is N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is SMJLCMOIQYTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)9-17-13(20)8-14-18-19-15(21-14)12-2-1-7-22-12/h1-7H,8-9H2,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 39895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).