5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione

C25H21F3N2O6 — CID 67620028

About 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione

5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67620028) has the molecular formula C25H21F3N2O6 and a molecular weight of 502.45 g/mol. Its IUPAC name is 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 67620028
• Molecular Formula: C25H21F3N2O6
• Molecular Weight: 502.45 g/mol
• Exact Mass: 502.14
• IUPAC Name: 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
• SMILES: C/C(=C/CC1OC(=O)NC1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1
• InChI: InChI=1S/C25H21F3N2O6/c1-14(6-11-21-22(31)30-24(32)35-21)17-4-3-5-19(12-17)33-13-20-15(2)34-23(29-20)16-7-9-18(10-8-16)36-25(26,27)28/h3-10,12,21H,11,13H2,1-2H3,(H,30,31,32)/b14-6-
• InChIKey: RTYQRACVLWMXIE-NSIKDUERSA-N
• XLogP: 5.56
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.45
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione (CID 67620028) is 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione is C/C(=C/CC1OC(=O)NC1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1.

What is the InChIKey of 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is RTYQRACVLWMXIE-NSIKDUERSA-N. The full InChI is InChI=1S/C25H21F3N2O6/c1-14(6-11-21-22(31)30-24(32)35-21)17-4-3-5-19(12-17)33-13-20-15(2)34-23(29-20)16-7-9-18(10-8-16)36-25(26,27)28/h3-10,12,21H,11,13H2,1-2H3,(H,30,31,32)/b14-6-.

What are the key properties of 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione?

5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 502.45 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67620028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).