5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C20H26N4O2S — CID 172898325

IUPAC5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC1CN(CC2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC(C)O1
InChIInChI=1S/C20H26N4O2S/c1-14-11-23(12-15(2)25-14)13-16-5-7-24(8-6-16)20-17(10-21)22-19(26-20)18-4-3-9-27-18/h3-4,9,14-16H,5-8,11-13H2,1-2H3
InChIKeyYWVNPAFOVQFIQA-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds4

About 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 172898325) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID172898325
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC1CN(CC2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC(C)O1
InChIInChI=1S/C20H26N4O2S/c1-14-11-23(12-15(2)25-14)13-16-5-7-24(8-6-16)20-17(10-21)22-19(26-20)18-4-3-9-27-18/h3-4,9,14-16H,5-8,11-13H2,1-2H3
InChIKeyYWVNPAFOVQFIQA-UHFFFAOYSA-N
XLogP3.60
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 172898325) is 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is CC1CN(CC2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC(C)O1.
What is the InChIKey of 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is YWVNPAFOVQFIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14-11-23(12-15(2)25-14)13-16-5-7-24(8-6-16)20-17(10-21)22-19(26-20)18-4-3-9-27-18/h3-4,9,14-16H,5-8,11-13H2,1-2H3.
What are the key properties of 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 386.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 172898325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).