2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

C17H19N3O — CID 693639

IUPAC2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N3CCC(C)CC3)o2)cc1
InChIInChI=1S/C17H19N3O/c1-12-3-5-14(6-4-12)16-19-15(11-18)17(21-16)20-9-7-13(2)8-10-20/h3-6,13H,7-10H2,1-2H3
InChIKeyJLCUXRSBOSYBJY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 693639) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID693639
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N3CCC(C)CC3)o2)cc1
InChIInChI=1S/C17H19N3O/c1-12-3-5-14(6-4-12)16-19-15(11-18)17(21-16)20-9-7-13(2)8-10-20/h3-6,13H,7-10H2,1-2H3
InChIKeyJLCUXRSBOSYBJY-UHFFFAOYSA-N
XLogP3.76
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (CID 693639) is 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(N3CCC(C)CC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is JLCUXRSBOSYBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-5-14(6-4-12)16-19-15(11-18)17(21-16)20-9-7-13(2)8-10-20/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 693639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).