5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

C22H23N5O — CID 46300372

IUPAC5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H23N5O/c23-14-19-22(28-21(26-19)18-10-7-11-24-15-18)25-16-20(17-8-3-1-4-9-17)27-12-5-2-6-13-27/h1,3-4,7-11,15,20,25H,2,5-6,12-13,16H2
InChIKeyQVESBOVJCXVKIK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.25
Rot. Bonds6

About 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (PubChem CID 46300372) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
PubChem CID46300372
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H23N5O/c23-14-19-22(28-21(26-19)18-10-7-11-24-15-18)25-16-20(17-8-3-1-4-9-17)27-12-5-2-6-13-27/h1,3-4,7-11,15,20,25H,2,5-6,12-13,16H2
InChIKeyQVESBOVJCXVKIK-UHFFFAOYSA-N
XLogP4.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (CID 46300372) is 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccnc2)oc1NCC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is QVESBOVJCXVKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c23-14-19-22(28-21(26-19)18-10-7-11-24-15-18)25-16-20(17-8-3-1-4-9-17)27-12-5-2-6-13-27/h1,3-4,7-11,15,20,25H,2,5-6,12-13,16H2.
What are the key properties of 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46300372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).