(1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C33H35F3N4O5 — CID 170169853

About (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 170169853) has the molecular formula C33H35F3N4O5 and a molecular weight of 624.66 g/mol. Its IUPAC name is (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

• Compound Name: (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• PubChem CID: 170169853
• Molecular Formula: C33H35F3N4O5
• Molecular Weight: 624.66 g/mol
• Exact Mass: 624.26
• IUPAC Name: (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• SMILES: CCCC1C[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(OCc4ccccc4)c2C3=O)ON1Cc1c(F)cc(F)cc1F
• InChI: InChI=1S/C33H35F3N4O5/c1-3-7-22-14-33(45-40(22)16-23-25(35)12-21(34)13-26(23)36)11-10-19(2)38-17-27(33)39-15-24(31(37)42)29(41)30(28(39)32(38)43)44-18-20-8-5-4-6-9-20/h4-6,8-9,12-13,15,19,22,27H,3,7,10-11,14,16-18H2,1-2H3,(H2,37,42)/t19-,22?,27+,33-/m0/s1
• InChIKey: UBLYLPZKKHONRA-PGUHOUMCSA-N
• XLogP: 4.87
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.66
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The IUPAC name of (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 170169853) is (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

What is the SMILES notation for (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The canonical SMILES for (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is CCCC1C[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(OCc4ccccc4)c2C3=O)ON1Cc1c(F)cc(F)cc1F.

What is the InChIKey of (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The InChIKey is UBLYLPZKKHONRA-PGUHOUMCSA-N. The full InChI is InChI=1S/C33H35F3N4O5/c1-3-7-22-14-33(45-40(22)16-23-25(35)12-21(34)13-26(23)36)11-10-19(2)38-17-27(33)39-15-24(31(37)42)29(41)30(28(39)32(38)43)44-18-20-8-5-4-6-9-20/h4-6,8-9,12-13,15,19,22,27H,3,7,10-11,14,16-18H2,1-2H3,(H2,37,42)/t19-,22?,27+,33-/m0/s1.

What are the key properties of (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

(1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 624.66 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,5S,10'S)-10'-methyl-5',8'-dioxo-6'-phenylmethoxy-3-propyl-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 170169853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).