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

C17H14FN3O3 — CID 17488468

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1
InChIInChI=1S/C17H14FN3O3/c1-20(14-5-3-2-4-6-14)15(22)11-21-17(23)24-16(19-21)12-7-9-13(18)10-8-12/h2-10H,11H2,1H3
InChIKeyPVCNKGIDXBDLDL-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.31
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 17488468) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
PubChem CID17488468
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1
InChIInChI=1S/C17H14FN3O3/c1-20(14-5-3-2-4-6-14)15(22)11-21-17(23)24-16(19-21)12-7-9-13(18)10-8-12/h2-10H,11H2,1H3
InChIKeyPVCNKGIDXBDLDL-UHFFFAOYSA-N
XLogP2.31
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide (CID 17488468) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is PVCNKGIDXBDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-20(14-5-3-2-4-6-14)15(22)11-21-17(23)24-16(19-21)12-7-9-13(18)10-8-12/h2-10H,11H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 327.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-methyl-N-phenylacetamide is sourced from PubChem (CID 17488468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).