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

C21H23N3O5 — CID 646780

IUPAC4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILESCOc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-25-17-12-15(13-18(26-2)19(17)27-3)21-23-22-20(29-21)14-4-6-16(7-5-14)24-8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZQQBASAIFGTMSU-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.27
Rot. Bonds6

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

4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine (PubChem CID 646780) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
PubChem CID646780
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILESCOc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-25-17-12-15(13-18(26-2)19(17)27-3)21-23-22-20(29-21)14-4-6-16(7-5-14)24-8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZQQBASAIFGTMSU-UHFFFAOYSA-N
XLogP3.27
TPSA79.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine (CID 646780) is 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine is COc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC.
What is the InChIKey of 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The InChIKey is ZQQBASAIFGTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-25-17-12-15(13-18(26-2)19(17)27-3)21-23-22-20(29-21)14-4-6-16(7-5-14)24-8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine has a molecular weight of 397.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 646780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).