1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide

C28H24N6O3 — CID 112832854

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccnn2Cc2cccc3ccccc23)CC1
InChIInChI=1S/C28H24N6O3/c29-17-23-28(37-27(31-23)24-9-4-16-36-24)33-14-11-20(12-15-33)26(35)32-25-10-13-30-34(25)18-21-7-3-6-19-5-1-2-8-22(19)21/h1-10,13,16,20H,11-12,14-15,18H2,(H,32,35)
InChIKeyTUAQHLWSTFNGLL-UHFFFAOYSA-N
MW492.54 g/mol
LogP5.06
Rot. Bonds6

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 112832854) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID112832854
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccnn2Cc2cccc3ccccc23)CC1
InChIInChI=1S/C28H24N6O3/c29-17-23-28(37-27(31-23)24-9-4-16-36-24)33-14-11-20(12-15-33)26(35)32-25-10-13-30-34(25)18-21-7-3-6-19-5-1-2-8-22(19)21/h1-10,13,16,20H,11-12,14-15,18H2,(H,32,35)
InChIKeyTUAQHLWSTFNGLL-UHFFFAOYSA-N
XLogP5.06
TPSA113.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide (CID 112832854) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccnn2Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is TUAQHLWSTFNGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c29-17-23-28(37-27(31-23)24-9-4-16-36-24)33-14-11-20(12-15-33)26(35)32-25-10-13-30-34(25)18-21-7-3-6-19-5-1-2-8-22(19)21/h1-10,13,16,20H,11-12,14-15,18H2,(H,32,35).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 5.06, 6 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-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 112832854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).