5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

C16H17N3O — CID 73253928

IUPAC5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H17N3O/c17-11-15-16(20-12-18-15)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-10H2
InChIKeyPSHVLDXPHFMVOJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.01
Rot. Bonds3

About 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 73253928) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID73253928
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H17N3O/c17-11-15-16(20-12-18-15)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-10H2
InChIKeyPSHVLDXPHFMVOJ-UHFFFAOYSA-N
XLogP3.01
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperidin-1-yl)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 18822814
5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1177296
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200495
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
5-(4-benzylpiperidin-1-yl)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
CID 16646575
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62751684
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
4-benzyl-1-methylpiperidine;ethane
CID 142009767
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (CID 73253928) is 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is N#Cc1ncoc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is PSHVLDXPHFMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-15-16(20-12-18-15)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-10H2.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 73253928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).