3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one

C35H37F2N3O5 — CID 67444010

IUPAC3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one
SMILESCOCc1cc(C=Cc2ccccc2OCC(O)CN(C)CCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)C2=O)on1
InChIInChI=1S/C35H37F2N3O5/c1-39(22-31(41)24-44-33-6-4-3-5-25(33)7-16-32-21-30(23-43-2)38-45-32)19-20-40-18-17-35(34(40)42,26-8-12-28(36)13-9-26)27-10-14-29(37)15-11-27/h3-16,21,31,41H,17-20,22-24H2,1-2H3
InChIKeyCFZLDSBZXRWFAD-UHFFFAOYSA-N
MW617.69 g/mol
LogP5.16
Rot. Bonds14

About 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one

3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one (PubChem CID 67444010) has the molecular formula C35H37F2N3O5 and a molecular weight of 617.69 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one
PubChem CID67444010
Molecular FormulaC35H37F2N3O5
Molecular Weight617.69 g/mol
Exact Mass617.27
IUPAC Name3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one
SMILESCOCc1cc(C=Cc2ccccc2OCC(O)CN(C)CCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)C2=O)on1
InChIInChI=1S/C35H37F2N3O5/c1-39(22-31(41)24-44-33-6-4-3-5-25(33)7-16-32-21-30(23-43-2)38-45-32)19-20-40-18-17-35(34(40)42,26-8-12-28(36)13-9-26)27-10-14-29(37)15-11-27/h3-16,21,31,41H,17-20,22-24H2,1-2H3
InChIKeyCFZLDSBZXRWFAD-UHFFFAOYSA-N
XLogP5.16
TPSA88.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.69
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one 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 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one (CID 67444010) is 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one is COCc1cc(C=Cc2ccccc2OCC(O)CN(C)CCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)C2=O)on1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is CFZLDSBZXRWFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F2N3O5/c1-39(22-31(41)24-44-33-6-4-3-5-25(33)7-16-32-21-30(23-43-2)38-45-32)19-20-40-18-17-35(34(40)42,26-8-12-28(36)13-9-26)27-10-14-29(37)15-11-27/h3-16,21,31,41H,17-20,22-24H2,1-2H3.
What are the key properties of 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one?
3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 617.69 g/mol, XLogP of 5.16, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)-1-[2-[[2-hydroxy-3-[2-[2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propyl]-methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 67444010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).