(1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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

C23H23F3N4O6 — CID 170170255

IUPAC(1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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
SMILESCOC1C[C@]2(CCCN3C[C@H]2n2cc(C(N)=O)c(=O)c(O)c2C3=O)ON1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C23H23F3N4O6/c1-35-17-7-23(36-30(17)9-12-14(25)5-11(24)6-15(12)26)3-2-4-28-10-16(23)29-8-13(21(27)33)19(31)20(32)18(29)22(28)34/h5-6,8,16-17,32H,2-4,7,9-10H2,1H3,(H2,27,33)/t16-,17?,23+/m1/s1
InChIKeyFNQLJHXNLXBQBG-HFNFZTFUSA-N
MW508.45 g/mol
LogP1.41
Rot. Bonds4

About (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 170170255) has the molecular formula C23H23F3N4O6 and a molecular weight of 508.45 g/mol. Its IUPAC name is (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 CID170170255
Molecular FormulaC23H23F3N4O6
Molecular Weight508.45 g/mol
Exact Mass508.16
IUPAC Name(1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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
SMILESCOC1C[C@]2(CCCN3C[C@H]2n2cc(C(N)=O)c(=O)c(O)c2C3=O)ON1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C23H23F3N4O6/c1-35-17-7-23(36-30(17)9-12-14(25)5-11(24)6-15(12)26)3-2-4-28-10-16(23)29-8-13(21(27)33)19(31)20(32)18(29)22(28)34/h5-6,8,16-17,32H,2-4,7,9-10H2,1H3,(H2,27,33)/t16-,17?,23+/m1/s1
InChIKeyFNQLJHXNLXBQBG-HFNFZTFUSA-N
XLogP1.41
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 170170255) is (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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)-6'-hydroxy-3-methoxy-5',8'-dioxo-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)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 COC1C[C@]2(CCCN3C[C@H]2n2cc(C(N)=O)c(=O)c(O)c2C3=O)ON1Cc1c(F)cc(F)cc1F.
What is the InChIKey of (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 FNQLJHXNLXBQBG-HFNFZTFUSA-N. The full InChI is InChI=1S/C23H23F3N4O6/c1-35-17-7-23(36-30(17)9-12-14(25)5-11(24)6-15(12)26)3-2-4-28-10-16(23)29-8-13(21(27)33)19(31)20(32)18(29)22(28)34/h5-6,8,16-17,32H,2-4,7,9-10H2,1H3,(H2,27,33)/t16-,17?,23+/m1/s1.
What are the key properties of (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 508.45 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5S)-6'-hydroxy-3-methoxy-5',8'-dioxo-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 170170255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).