4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile

C23H19N5O4 — CID 16722362

IUPAC4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile
SMILESCOc1cc(N2CCOCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C#N)o1
InChIInChI=1S/C23H19N5O4/c1-29-18-13-16(28-9-11-30-12-10-28)7-8-17(18)22-25-26-23(31-22)20-19(14-24)32-27-21(20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyITKRZASTNUEEPX-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.78
Rot. Bonds5

About 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile

4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile (PubChem CID 16722362) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile
PubChem CID16722362
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile
SMILESCOc1cc(N2CCOCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C#N)o1
InChIInChI=1S/C23H19N5O4/c1-29-18-13-16(28-9-11-30-12-10-28)7-8-17(18)22-25-26-23(31-22)20-19(14-24)32-27-21(20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyITKRZASTNUEEPX-UHFFFAOYSA-N
XLogP3.78
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile?
The IUPAC name of 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile (CID 16722362) is 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile is COc1cc(N2CCOCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C#N)o1.
What is the InChIKey of 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile?
The InChIKey is ITKRZASTNUEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-29-18-13-16(28-9-11-30-12-10-28)7-8-17(18)22-25-26-23(31-22)20-19(14-24)32-27-21(20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile?
4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile has a molecular weight of 429.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxy-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenyl-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 16722362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).