2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

C18H21N3O — CID 11835463

IUPAC2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(Cc3ccccc3)nc2C#N)C1
InChIInChI=1S/C18H21N3O/c1-13-8-14(2)12-21(11-13)18-16(10-19)20-17(22-18)9-15-6-4-3-5-7-15/h3-7,13-14H,8-9,11-12H2,1-2H3
InChIKeyFPYWORUYQDIISA-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.62
Rot. Bonds3

About 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 11835463) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID11835463
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(Cc3ccccc3)nc2C#N)C1
InChIInChI=1S/C18H21N3O/c1-13-8-14(2)12-21(11-13)18-16(10-19)20-17(22-18)9-15-6-4-3-5-7-15/h3-7,13-14H,8-9,11-12H2,1-2H3
InChIKeyFPYWORUYQDIISA-UHFFFAOYSA-N
XLogP3.62
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (CID 11835463) is 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is CC1CC(C)CN(c2oc(Cc3ccccc3)nc2C#N)C1.
What is the InChIKey of 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FPYWORUYQDIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-8-14(2)12-21(11-13)18-16(10-19)20-17(22-18)9-15-6-4-3-5-7-15/h3-7,13-14H,8-9,11-12H2,1-2H3.
What are the key properties of 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 11835463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).