4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine

C19H19N3O2 — CID 50769427

IUPAC4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
SMILESCc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-2-4-16(5-3-14)19-20-18(21-24-19)15-6-8-17(9-7-15)22-10-12-23-13-11-22/h2-9H,10-13H2,1H3
InChIKeyCQEWUJWODGJWSK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.55
Rot. Bonds3

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

4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine (PubChem CID 50769427) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
PubChem CID50769427
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
SMILESCc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-2-4-16(5-3-14)19-20-18(21-24-19)15-6-8-17(9-7-15)22-10-12-23-13-11-22/h2-9H,10-13H2,1H3
InChIKeyCQEWUJWODGJWSK-UHFFFAOYSA-N
XLogP3.55
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine (CID 50769427) is 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine is Cc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1.
What is the InChIKey of 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
The InChIKey is CQEWUJWODGJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-2-4-16(5-3-14)19-20-18(21-24-19)15-6-8-17(9-7-15)22-10-12-23-13-11-22/h2-9H,10-13H2,1H3.
What are the key properties of 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine has a molecular weight of 321.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 50769427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).