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

C16H17N3O — CID 891922

IUPAC2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1
InChIInChI=1S/C16H17N3O/c1-12-7-3-4-8-13(12)15-18-14(11-17)16(20-15)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyMZYJROXWANHTFY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds2

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

2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 891922) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID891922
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1
InChIInChI=1S/C16H17N3O/c1-12-7-3-4-8-13(12)15-18-14(11-17)16(20-15)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyMZYJROXWANHTFY-UHFFFAOYSA-N
XLogP3.51
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 891922) is 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is Cc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is MZYJROXWANHTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-7-3-4-8-13(12)15-18-14(11-17)16(20-15)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).