4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine

C23H22N4O4 — CID 16722906

IUPAC4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C23H22N4O4/c1-15-20(21(26-31-15)16-6-4-3-5-7-16)23-25-24-22(30-23)18-9-8-17(14-19(18)28-2)27-10-12-29-13-11-27/h3-9,14H,10-13H2,1-2H3
InChIKeyROQITEPMQKIGLK-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.21
Rot. Bonds5

About 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine

4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine (PubChem CID 16722906) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
PubChem CID16722906
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C23H22N4O4/c1-15-20(21(26-31-15)16-6-4-3-5-7-16)23-25-24-22(30-23)18-9-8-17(14-19(18)28-2)27-10-12-29-13-11-27/h3-9,14H,10-13H2,1-2H3
InChIKeyROQITEPMQKIGLK-UHFFFAOYSA-N
XLogP4.21
TPSA86.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The IUPAC name of 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine (CID 16722906) is 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine is COc1cc(N2CCOCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1.
What is the InChIKey of 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The InChIKey is ROQITEPMQKIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15-20(21(26-31-15)16-6-4-3-5-7-16)23-25-24-22(30-23)18-9-8-17(14-19(18)28-2)27-10-12-29-13-11-27/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine has a molecular weight of 418.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 16722906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).