ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C33H31F3N2O6 — CID 66660388

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

ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 66660388) has the molecular formula C33H31F3N2O6 and a molecular weight of 608.61 g/mol. Its IUPAC name is ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
• PubChem CID: 66660388
• Molecular Formula: C33H31F3N2O6
• Molecular Weight: 608.61 g/mol
• Exact Mass: 608.21
• IUPAC Name: ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC(C)c4cccc(C(F)(F)F)c4)c(OC)c3)cc2)CC1
• InChI: InChI=1S/C33H31F3N2O6/c1-5-42-30(39)32(15-16-32)24-12-9-21(10-13-24)23-11-14-26(27(18-23)41-4)29-28(19(2)38-44-29)37-31(40)43-20(3)22-7-6-8-25(17-22)33(34,35)36/h6-14,17-18,20H,5,15-16H2,1-4H3,(H,37,40)
• InChIKey: JCZJDDSFBIMMIQ-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.61
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 66660388) is ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

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

The canonical SMILES for ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC(C)c4cccc(C(F)(F)F)c4)c(OC)c3)cc2)CC1.

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

The InChIKey is JCZJDDSFBIMMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N2O6/c1-5-42-30(39)32(15-16-32)24-12-9-21(10-13-24)23-11-14-26(27(18-23)41-4)29-28(19(2)38-44-29)37-31(40)43-20(3)22-7-6-8-25(17-22)33(34,35)36/h6-14,17-18,20H,5,15-16H2,1-4H3,(H,37,40).

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

ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 608.61 g/mol, XLogP of 8.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66660388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).