4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine

C26H26F3N5O4 — CID 46190810

IUPAC4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C26H26F3N5O4/c1-18-15-23(25-30-24(32-38-25)20-5-7-21(8-6-20)37-26(27,28)29)31-34(18)17-19-3-2-4-22(16-19)36-14-11-33-9-12-35-13-10-33/h2-8,15-16H,9-14,17H2,1H3
InChIKeyCUIPMSPNUIFKEU-UHFFFAOYSA-N
MW529.52 g/mol
LogP4.57
Rot. Bonds9

About 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine

4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine (PubChem CID 46190810) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine
PubChem CID46190810
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC Name4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C26H26F3N5O4/c1-18-15-23(25-30-24(32-38-25)20-5-7-21(8-6-20)37-26(27,28)29)31-34(18)17-19-3-2-4-22(16-19)36-14-11-33-9-12-35-13-10-33/h2-8,15-16H,9-14,17H2,1H3
InChIKeyCUIPMSPNUIFKEU-UHFFFAOYSA-N
XLogP4.57
TPSA87.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine (CID 46190810) is 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
The InChIKey is CUIPMSPNUIFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-18-15-23(25-30-24(32-38-25)20-5-7-21(8-6-20)37-26(27,28)29)31-34(18)17-19-3-2-4-22(16-19)36-14-11-33-9-12-35-13-10-33/h2-8,15-16H,9-14,17H2,1H3.
What are the key properties of 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine?
4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine has a molecular weight of 529.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 46190810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).