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

C27H22N6O3 — CID 60521803

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C27H22N6O3/c28-17-21-26(36-25(29-21)23-11-6-16-35-23)32-14-12-18(13-15-32)24(34)31-27-30-20-9-4-5-10-22(20)33(27)19-7-2-1-3-8-19/h1-11,16,18H,12-15H2,(H,30,31,34)
InChIKeyFZZWYZFRENNBSU-UHFFFAOYSA-N
MW478.51 g/mol
LogP5.00
Rot. Bonds5

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 60521803) has the molecular formula C27H22N6O3 and a molecular weight of 478.51 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID60521803
Molecular FormulaC27H22N6O3
Molecular Weight478.51 g/mol
Exact Mass478.18
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C27H22N6O3/c28-17-21-26(36-25(29-21)23-11-6-16-35-23)32-14-12-18(13-15-32)24(34)31-27-30-20-9-4-5-10-22(20)33(27)19-7-2-1-3-8-19/h1-11,16,18H,12-15H2,(H,30,31,34)
InChIKeyFZZWYZFRENNBSU-UHFFFAOYSA-N
XLogP5.00
TPSA113.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 55.00
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-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 60521803) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is FZZWYZFRENNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3/c28-17-21-26(36-25(29-21)23-11-6-16-35-23)32-14-12-18(13-15-32)24(34)31-27-30-20-9-4-5-10-22(20)33(27)19-7-2-1-3-8-19/h1-11,16,18H,12-15H2,(H,30,31,34).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 5.00, 5 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-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 60521803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).