N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide

C23H26FN7O2 — CID 143981458

IUPACN'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide
SMILESCC(C)c1noc(N2CCC(Oc3ccc(-c4ccc(/N=C/N=N/N)cc4F)cc3)CC2)n1
InChIInChI=1S/C23H26FN7O2/c1-15(2)22-28-23(33-29-22)31-11-9-19(10-12-31)32-18-6-3-16(4-7-18)20-8-5-17(13-21(20)24)26-14-27-30-25/h3-8,13-15,19H,9-12H2,1-2H3,(H2,25,26,27)
InChIKeyFOBXIVFKUBMRDS-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.03
Rot. Bonds7

About N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide

N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide (PubChem CID 143981458) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide.

Molecular Properties

Compound NameN'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide
PubChem CID143981458
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC NameN'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide
SMILESCC(C)c1noc(N2CCC(Oc3ccc(-c4ccc(/N=C/N=N/N)cc4F)cc3)CC2)n1
InChIInChI=1S/C23H26FN7O2/c1-15(2)22-28-23(33-29-22)31-11-9-19(10-12-31)32-18-6-3-16(4-7-18)20-8-5-17(13-21(20)24)26-14-27-30-25/h3-8,13-15,19H,9-12H2,1-2H3,(H2,25,26,27)
InChIKeyFOBXIVFKUBMRDS-UHFFFAOYSA-N
XLogP5.03
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide?
The IUPAC name of N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide (CID 143981458) is N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide.
What is the SMILES notation for N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide?
The canonical SMILES for N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide is CC(C)c1noc(N2CCC(Oc3ccc(-c4ccc(/N=C/N=N/N)cc4F)cc3)CC2)n1.
What is the InChIKey of N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide?
The InChIKey is FOBXIVFKUBMRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-15(2)22-28-23(33-29-22)31-11-9-19(10-12-31)32-18-6-3-16(4-7-18)20-8-5-17(13-21(20)24)26-14-27-30-25/h3-8,13-15,19H,9-12H2,1-2H3,(H2,25,26,27).
What are the key properties of N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide?
N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide has a molecular weight of 451.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-fluoro-4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxyphenyl]phenyl]-N-hydrazinylidenemethanimidamide is sourced from PubChem (CID 143981458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).