N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C20H20FN5O3 — CID 50836384

IUPACN-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1
InChIInChI=1S/C20H20FN5O3/c21-14-8-6-13(7-9-14)16-10-11-18(27)26(24-16)12-17-23-20(29-25-17)19(28)22-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,22,28)
InChIKeyKTEFZDBYAUUMEW-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.54
Rot. Bonds5

About N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50836384) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50836384
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC NameN-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1
InChIInChI=1S/C20H20FN5O3/c21-14-8-6-13(7-9-14)16-10-11-18(27)26(24-16)12-17-23-20(29-25-17)19(28)22-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,22,28)
InChIKeyKTEFZDBYAUUMEW-UHFFFAOYSA-N
XLogP2.54
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 50836384) is N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCCC1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1.
What is the InChIKey of N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KTEFZDBYAUUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-14-8-6-13(7-9-14)16-10-11-18(27)26(24-16)12-17-23-20(29-25-17)19(28)22-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,22,28).
What are the key properties of N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50836384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).