5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C20H19N3O2 — CID 938861

IUPAC5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c21-14-17-20(25-19(22-17)18-7-4-12-24-18)23-10-8-16(9-11-23)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13H2
InChIKeyCNDNZWSATQRSBA-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.27
Rot. Bonds4

About 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 938861) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID938861
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c21-14-17-20(25-19(22-17)18-7-4-12-24-18)23-10-8-16(9-11-23)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13H2
InChIKeyCNDNZWSATQRSBA-UHFFFAOYSA-N
XLogP4.27
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 938861) is 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is CNDNZWSATQRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-14-17-20(25-19(22-17)18-7-4-12-24-18)23-10-8-16(9-11-23)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13H2.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 938861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).