ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate

C33H31F3N2O5 — CID 67523643

About ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate

ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 67523643) has the molecular formula C33H31F3N2O5 and a molecular weight of 592.61 g/mol. Its IUPAC name is ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate
• PubChem CID: 67523643
• Molecular Formula: C33H31F3N2O5
• Molecular Weight: 592.61 g/mol
• Exact Mass: 592.22
• IUPAC Name: ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1(Cc2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)c4cccc(C(F)(F)F)c4)cc3)cc2)CC1
• InChI: InChI=1S/C33H31F3N2O5/c1-4-41-30(39)32(16-17-32)19-22-8-10-23(11-9-22)24-12-14-25(15-13-24)29-28(20(2)38-43-29)37-31(40)42-21(3)26-6-5-7-27(18-26)33(34,35)36/h5-15,18,21H,4,16-17,19H2,1-3H3,(H,37,40)/t21-/m1/s1
• InChIKey: DMXUTUHXENMHFO-OAQYLSRUSA-N
• XLogP: 8.53
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.61
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate (CID 67523643) is ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(Cc2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)c4cccc(C(F)(F)F)c4)cc3)cc2)CC1.

What is the InChIKey of ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate?

The InChIKey is DMXUTUHXENMHFO-OAQYLSRUSA-N. The full InChI is InChI=1S/C33H31F3N2O5/c1-4-41-30(39)32(16-17-32)19-22-8-10-23(11-9-22)24-12-14-25(15-13-24)29-28(20(2)38-43-29)37-31(40)42-21(3)26-6-5-7-27(18-26)33(34,35)36/h5-15,18,21H,4,16-17,19H2,1-3H3,(H,37,40)/t21-/m1/s1.

What are the key properties of ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate?

ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 592.61 g/mol, XLogP of 8.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67523643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).