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

C26H27N7O3 — CID 167806669

IUPAC5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CN(c2nc3ccccc3nc2N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)O1
InChIInChI=1S/C26H27N7O3/c1-17-15-33(16-18(2)35-17)24-23(28-19-6-3-4-7-20(19)29-24)31-9-11-32(12-10-31)26-21(14-27)30-25(36-26)22-8-5-13-34-22/h3-8,13,17-18H,9-12,15-16H2,1-2H3
InChIKeyVBSLKSAVUXQWLN-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.69
Rot. Bonds4

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

5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 167806669) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID167806669
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CN(c2nc3ccccc3nc2N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)O1
InChIInChI=1S/C26H27N7O3/c1-17-15-33(16-18(2)35-17)24-23(28-19-6-3-4-7-20(19)29-24)31-9-11-32(12-10-31)26-21(14-27)30-25(36-26)22-8-5-13-34-22/h3-8,13,17-18H,9-12,15-16H2,1-2H3
InChIKeyVBSLKSAVUXQWLN-UHFFFAOYSA-N
XLogP3.69
TPSA107.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 167806669) is 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is CC1CN(c2nc3ccccc3nc2N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)O1.
What is the InChIKey of 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is VBSLKSAVUXQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-17-15-33(16-18(2)35-17)24-23(28-19-6-3-4-7-20(19)29-24)31-9-11-32(12-10-31)26-21(14-27)30-25(36-26)22-8-5-13-34-22/h3-8,13,17-18H,9-12,15-16H2,1-2H3.
What are the key properties of 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 485.55 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 167806669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).