2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

C19H17N3O — CID 664328

IUPAC2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1
InChIInChI=1S/C19H17N3O/c20-13-17-19(22-11-4-1-5-12-22)23-18(21-17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-12H2
InChIKeyHYPJNJNPHDWHRX-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.36
Rot. Bonds2

About 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 664328) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID664328
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1
InChIInChI=1S/C19H17N3O/c20-13-17-19(22-11-4-1-5-12-22)23-18(21-17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-12H2
InChIKeyHYPJNJNPHDWHRX-UHFFFAOYSA-N
XLogP4.36
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 664328) is 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1.
What is the InChIKey of 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is HYPJNJNPHDWHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c20-13-17-19(22-11-4-1-5-12-22)23-18(21-17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-12H2.
What are the key properties of 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).