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

C17H13FN4O4 — CID 27040645

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H13FN4O4/c18-12-8-6-11(7-9-12)15-21-22(17(25)26-15)10-14(23)20-16(24)19-13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,20,23,24)
InChIKeyUDMVSBDAZMZJJB-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.99
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide (PubChem CID 27040645) has the molecular formula C17H13FN4O4 and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide
PubChem CID27040645
Molecular FormulaC17H13FN4O4
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H13FN4O4/c18-12-8-6-11(7-9-12)15-21-22(17(25)26-15)10-14(23)20-16(24)19-13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,20,23,24)
InChIKeyUDMVSBDAZMZJJB-UHFFFAOYSA-N
XLogP1.99
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 155560722
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 4963490
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17488119
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
N-ethyl-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17511501
N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9208452
N-(3,4-difluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanamide
CID 17544650
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 3323904
N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 3674591
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577921
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577957
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578159

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide (CID 27040645) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is UDMVSBDAZMZJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O4/c18-12-8-6-11(7-9-12)15-21-22(17(25)26-15)10-14(23)20-16(24)19-13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,20,23,24).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 356.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 27040645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).