N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide

C18H7F4N7O4 — CID 87399404

IUPACN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide
SMILESN#Cc1cc(-n2c(-c3nonc3N(C(=O)C(F)(F)F)c3ccncc3)noc2=O)ccc1F
InChIInChI=1S/C18H7F4N7O4/c19-12-2-1-11(7-9(12)8-23)29-14(26-32-17(29)31)13-15(27-33-25-13)28(16(30)18(20,21)22)10-3-5-24-6-4-10/h1-7H
InChIKeyVYVFMEMOIDBDRR-UHFFFAOYSA-N
MW461.29 g/mol
LogP2.51
Rot. Bonds4

About N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide

N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide (PubChem CID 87399404) has the molecular formula C18H7F4N7O4 and a molecular weight of 461.29 g/mol. Its IUPAC name is N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide
PubChem CID87399404
Molecular FormulaC18H7F4N7O4
Molecular Weight461.29 g/mol
Exact Mass461.05
IUPAC NameN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide
SMILESN#Cc1cc(-n2c(-c3nonc3N(C(=O)C(F)(F)F)c3ccncc3)noc2=O)ccc1F
InChIInChI=1S/C18H7F4N7O4/c19-12-2-1-11(7-9(12)8-23)29-14(26-32-17(29)31)13-15(27-33-25-13)28(16(30)18(20,21)22)10-3-5-24-6-4-10/h1-7H
InChIKeyVYVFMEMOIDBDRR-UHFFFAOYSA-N
XLogP2.51
TPSA143.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide?
The IUPAC name of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide (CID 87399404) is N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide.
What is the SMILES notation for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide?
The canonical SMILES for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide is N#Cc1cc(-n2c(-c3nonc3N(C(=O)C(F)(F)F)c3ccncc3)noc2=O)ccc1F.
What is the InChIKey of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide?
The InChIKey is VYVFMEMOIDBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7F4N7O4/c19-12-2-1-11(7-9(12)8-23)29-14(26-32-17(29)31)13-15(27-33-25-13)28(16(30)18(20,21)22)10-3-5-24-6-4-10/h1-7H.
What are the key properties of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide?
N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide has a molecular weight of 461.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide is sourced from PubChem (CID 87399404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).