2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile

C17H20N4O — CID 696134

IUPAC2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCCN1CCCCC1
InChIInChI=1S/C17H20N4O/c18-13-15-17(19-9-12-21-10-5-2-6-11-21)22-16(20-15)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-12H2
InChIKeyOGRPFJXLDRMBBN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.11
Rot. Bonds5

About 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile

2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 696134) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID696134
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCCN1CCCCC1
InChIInChI=1S/C17H20N4O/c18-13-15-17(19-9-12-21-10-5-2-6-11-21)22-16(20-15)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-12H2
InChIKeyOGRPFJXLDRMBBN-UHFFFAOYSA-N
XLogP3.11
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 696134) is 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1NCCN1CCCCC1.
What is the InChIKey of 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is OGRPFJXLDRMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-13-15-17(19-9-12-21-10-5-2-6-11-21)22-16(20-15)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-12H2.
What are the key properties of 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 696134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).