N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

C16H11ClFN3O3 — CID 3674591

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H11ClFN3O3/c17-12-8-11(6-7-13(12)18)19-14(22)9-21-16(23)24-15(20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)
InChIKeyLZNCUVJTXLZOIN-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.93
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 3674591) has the molecular formula C16H11ClFN3O3 and a molecular weight of 347.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID3674591
Molecular FormulaC16H11ClFN3O3
Molecular Weight347.73 g/mol
Exact Mass347.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H11ClFN3O3/c17-12-8-11(6-7-13(12)18)19-14(22)9-21-16(23)24-15(20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)
InChIKeyLZNCUVJTXLZOIN-UHFFFAOYSA-N
XLogP2.93
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (CID 3674591) is N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is LZNCUVJTXLZOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3/c17-12-8-11(6-7-13(12)18)19-14(22)9-21-16(23)24-15(20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 347.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 3674591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).