5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile

C17H17N3O2 — CID 171131350

IUPAC5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2ccccc2)oc1N1CCCC(O)C1
InChIInChI=1S/C17H17N3O2/c18-11-15-17(20-10-4-7-14(21)12-20)22-16(19-15)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,21H,4,7,10,12H2
InChIKeyJVZNKLOKOXDKOU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.68
Rot. Bonds3

About 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile

5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 171131350) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID171131350
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2ccccc2)oc1N1CCCC(O)C1
InChIInChI=1S/C17H17N3O2/c18-11-15-17(20-10-4-7-14(21)12-20)22-16(19-15)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,21H,4,7,10,12H2
InChIKeyJVZNKLOKOXDKOU-UHFFFAOYSA-N
XLogP2.68
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile (CID 171131350) is 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(C=Cc2ccccc2)oc1N1CCCC(O)C1.
What is the InChIKey of 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is JVZNKLOKOXDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-11-15-17(20-10-4-7-14(21)12-20)22-16(19-15)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,21H,4,7,10,12H2.
What are the key properties of 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 171131350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).