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

C16H13FN4O4S — CID 27265437

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)NCc1cccs1
InChIInChI=1S/C16H13FN4O4S/c17-11-5-3-10(4-6-11)14-20-21(16(24)25-14)9-13(22)19-15(23)18-8-12-2-1-7-26-12/h1-7H,8-9H2,(H2,18,19,22,23)
InChIKeyLFIQFEINQVWRQO-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.73
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 27265437) has the molecular formula C16H13FN4O4S and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID27265437
Molecular FormulaC16H13FN4O4S
Molecular Weight376.37 g/mol
Exact Mass376.06
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)NCc1cccs1
InChIInChI=1S/C16H13FN4O4S/c17-11-5-3-10(4-6-11)14-20-21(16(24)25-14)9-13(22)19-15(23)18-8-12-2-1-7-26-12/h1-7H,8-9H2,(H2,18,19,22,23)
InChIKeyLFIQFEINQVWRQO-UHFFFAOYSA-N
XLogP1.73
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(propylcarbamoyl)acetamide
CID 27040137
N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
N-(cyclopentylcarbamoyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27040105
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27039812
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N'-methyl-N'-phenylacetohydrazide
CID 9480149
N-[[4-(dimethylamino)phenyl]methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9305124
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
N-(dicyclopropylmethyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 35465234
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 27265437) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)NCc1cccs1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is LFIQFEINQVWRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S/c17-11-5-3-10(4-6-11)14-20-21(16(24)25-14)9-13(22)19-15(23)18-8-12-2-1-7-26-12/h1-7H,8-9H2,(H2,18,19,22,23).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 376.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 27265437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).