N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide

C29H28F4N4O5 — CID 118958204

About N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide

N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide (PubChem CID 118958204) has the molecular formula C29H28F4N4O5 and a molecular weight of 588.56 g/mol. Its IUPAC name is N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
• PubChem CID: 118958204
• Molecular Formula: C29H28F4N4O5
• Molecular Weight: 588.56 g/mol
• Exact Mass: 588.20
• IUPAC Name: N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C2CC2)C(F)(F)F)C1=O)C1CNC1
• InChI: InChI=1S/C29H28F4N4O5/c30-20-5-1-16(2-6-20)14-36(24(17-3-4-17)29(31,32)33)23(38)15-37-26(40)28(42-27(37)41)10-9-18-11-21(7-8-22(18)28)35-25(39)19-12-34-13-19/h1-2,5-8,11,17,19,24,34H,3-4,9-10,12-15H2,(H,35,39)/t24-,28-/m1/s1
• InChIKey: VKPWXZGZFZRXAD-UFHPHHKVSA-N
• XLogP: 3.47
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.56
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide?

The IUPAC name of N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide (CID 118958204) is N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide?

The canonical SMILES for N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide is O=C(Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C2CC2)C(F)(F)F)C1=O)C1CNC1.

What is the InChIKey of N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide?

The InChIKey is VKPWXZGZFZRXAD-UFHPHHKVSA-N. The full InChI is InChI=1S/C29H28F4N4O5/c30-20-5-1-16(2-6-20)14-36(24(17-3-4-17)29(31,32)33)23(38)15-37-26(40)28(42-27(37)41)10-9-18-11-21(7-8-22(18)28)35-25(39)19-12-34-13-19/h1-2,5-8,11,17,19,24,34H,3-4,9-10,12-15H2,(H,35,39)/t24-,28-/m1/s1.

What are the key properties of N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide?

N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide has a molecular weight of 588.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide is sourced from PubChem (CID 118958204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).