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

C20H19N3O — CID 664387

IUPAC2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1N1CCCCC1
InChIInChI=1S/C20H19N3O/c21-14-18-20(23-11-4-1-5-12-23)24-19(22-18)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,1,4-5,11-13H2
InChIKeyYIAAEOJBZKKGRB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.28
Rot. Bonds3

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

2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 664387) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID664387
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1N1CCCCC1
InChIInChI=1S/C20H19N3O/c21-14-18-20(23-11-4-1-5-12-23)24-19(22-18)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,1,4-5,11-13H2
InChIKeyYIAAEOJBZKKGRB-UHFFFAOYSA-N
XLogP4.28
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 5032828
1-[4-Cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 664658
5-(3-Methylpiperidin-1-yl)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 663721
2-Benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 663972
5-{[3-(Morpholin-4-yl)propyl]amino}-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 663974
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 663986
5-(Isopropylamino)-2-(1-naphthylmethyl)-1,3-oxazole-4-carbonitrile
CID 664309
2-(Naphthalen-1-yl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664328
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664454
5-(Methylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664883
2-Benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 829934
2-Benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile
CID 829936

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 664387) is 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCCCC1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is YIAAEOJBZKKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c21-14-18-20(23-11-4-1-5-12-23)24-19(22-18)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,1,4-5,11-13H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).