1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide

C22H20FN5O4 — CID 46408047

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H20FN5O4/c23-16-5-3-14(4-6-16)12-19(29)26-27-20(30)15-7-9-28(10-8-15)22-17(13-24)25-21(32-22)18-2-1-11-31-18/h1-6,11,15H,7-10,12H2,(H,26,29)(H,27,30)
InChIKeyBWFGCATYRGNLMC-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.55
Rot. Bonds5

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 46408047) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
PubChem CID46408047
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H20FN5O4/c23-16-5-3-14(4-6-16)12-19(29)26-27-20(30)15-7-9-28(10-8-15)22-17(13-24)25-21(32-22)18-2-1-11-31-18/h1-6,11,15H,7-10,12H2,(H,26,29)(H,27,30)
InChIKeyBWFGCATYRGNLMC-UHFFFAOYSA-N
XLogP2.55
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide (CID 46408047) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is BWFGCATYRGNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c23-16-5-3-14(4-6-16)12-19(29)26-27-20(30)15-7-9-28(10-8-15)22-17(13-24)25-21(32-22)18-2-1-11-31-18/h1-6,11,15H,7-10,12H2,(H,26,29)(H,27,30).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 437.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 46408047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).