1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C21H23N5O5 — CID 56559097

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C21H23N5O5/c22-13-15-21(31-20(24-15)16-3-1-12-30-16)25-10-6-14(7-11-25)19(29)23-8-2-9-26-17(27)4-5-18(26)28/h1,3,12,14H,2,4-11H2,(H,23,29)
InChIKeyUKVDYSZNSBJUDR-UHFFFAOYSA-N
MW425.45 g/mol
LogP1.68
Rot. Bonds7

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 56559097) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID56559097
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C21H23N5O5/c22-13-15-21(31-20(24-15)16-3-1-12-30-16)25-10-6-14(7-11-25)19(29)23-8-2-9-26-17(27)4-5-18(26)28/h1,3,12,14H,2,4-11H2,(H,23,29)
InChIKeyUKVDYSZNSBJUDR-UHFFFAOYSA-N
XLogP1.68
TPSA132.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-cyclohexylethyl)piperidine-4-carboxamide
CID 46439610
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55600848
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 43072748
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 46436242
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
CID 78862319
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46408047
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide
CID 55670124
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 56559097) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is UKVDYSZNSBJUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c22-13-15-21(31-20(24-15)16-3-1-12-30-16)25-10-6-14(7-11-25)19(29)23-8-2-9-26-17(27)4-5-18(26)28/h1,3,12,14H,2,4-11H2,(H,23,29).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 56559097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).