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

C15H14ClN3O — CID 661264

IUPAC2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1
InChIInChI=1S/C15H14ClN3O/c16-12-6-4-11(5-7-12)14-18-13(10-17)15(20-14)19-8-2-1-3-9-19/h4-7H,1-3,8-9H2
InChIKeyWQKOIGIXISYXPV-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.86
Rot. Bonds2

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

2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661264) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID661264
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1
InChIInChI=1S/C15H14ClN3O/c16-12-6-4-11(5-7-12)14-18-13(10-17)15(20-14)19-8-2-1-3-9-19/h4-7H,1-3,8-9H2
InChIKeyWQKOIGIXISYXPV-UHFFFAOYSA-N
XLogP3.86
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 661264) is 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is WQKOIGIXISYXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-6-4-11(5-7-12)14-18-13(10-17)15(20-14)19-8-2-1-3-9-19/h4-7H,1-3,8-9H2.
What are the key properties of 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).