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

C23H25N3O4 — CID 44616223

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CC(C)OC(C)C4)o3)o2)c1
InChIInChI=1S/C23H25N3O4/c1-14-5-6-15(2)21(9-14)27-13-18-7-8-20(29-18)22-25-19(10-24)23(30-22)26-11-16(3)28-17(4)12-26/h5-9,16-17H,11-13H2,1-4H3
InChIKeyMERWIMDUZOXLSR-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.62
Rot. Bonds5

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

5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 44616223) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
PubChem CID44616223
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CC(C)OC(C)C4)o3)o2)c1
InChIInChI=1S/C23H25N3O4/c1-14-5-6-15(2)21(9-14)27-13-18-7-8-20(29-18)22-25-19(10-24)23(30-22)26-11-16(3)28-17(4)12-26/h5-9,16-17H,11-13H2,1-4H3
InChIKeyMERWIMDUZOXLSR-UHFFFAOYSA-N
XLogP4.62
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 44616223) is 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CC(C)OC(C)C4)o3)o2)c1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is MERWIMDUZOXLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14-5-6-15(2)21(9-14)27-13-18-7-8-20(29-18)22-25-19(10-24)23(30-22)26-11-16(3)28-17(4)12-26/h5-9,16-17H,11-13H2,1-4H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 407.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).