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

C20H26N4O3 — CID 172898328

IUPAC5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CN(CC2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)O1
InChIInChI=1S/C20H26N4O3/c1-14-11-23(12-15(2)26-14)13-16-5-7-24(8-6-16)20-17(10-21)22-19(27-20)18-4-3-9-25-18/h3-4,9,14-16H,5-8,11-13H2,1-2H3
InChIKeyPRGKCAREMJFEFM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.13
Rot. Bonds4

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

5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 172898328) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID172898328
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CN(CC2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)O1
InChIInChI=1S/C20H26N4O3/c1-14-11-23(12-15(2)26-14)13-16-5-7-24(8-6-16)20-17(10-21)22-19(27-20)18-4-3-9-25-18/h3-4,9,14-16H,5-8,11-13H2,1-2H3
InChIKeyPRGKCAREMJFEFM-UHFFFAOYSA-N
XLogP3.13
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.13
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-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 172898328) is 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-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-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is CC1CN(CC2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)O1.
What is the InChIKey of 5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is PRGKCAREMJFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-11-23(12-15(2)26-14)13-16-5-7-24(8-6-16)20-17(10-21)22-19(27-20)18-4-3-9-25-18/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-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 370.45 g/mol, XLogP of 3.13, 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-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 172898328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).