N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C27H24F4N4O5 — CID 118956930

IUPACN-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@]2(C[C@H](O)c3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H24F4N4O5/c1-15(27(29,30)31)34(12-16-3-6-19(28)7-4-16)23(37)14-35-24(38)26(40-25(35)39)10-22(36)20-9-17(5-8-21(20)26)18-11-32-33(2)13-18/h3-9,11,13,15,22,36H,10,12,14H2,1-2H3/t15-,22-,26-/m0/s1
InChIKeyJGKMHHPUHJQLFD-LHFVIUMPSA-N
MW560.50 g/mol
LogP3.82
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118956930) has the molecular formula C27H24F4N4O5 and a molecular weight of 560.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID118956930
Molecular FormulaC27H24F4N4O5
Molecular Weight560.50 g/mol
Exact Mass560.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@]2(C[C@H](O)c3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H24F4N4O5/c1-15(27(29,30)31)34(12-16-3-6-19(28)7-4-16)23(37)14-35-24(38)26(40-25(35)39)10-22(36)20-9-17(5-8-21(20)26)18-11-32-33(2)13-18/h3-9,11,13,15,22,36H,10,12,14H2,1-2H3/t15-,22-,26-/m0/s1
InChIKeyJGKMHHPUHJQLFD-LHFVIUMPSA-N
XLogP3.82
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118956930) is N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@]2(C[C@H](O)c3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is JGKMHHPUHJQLFD-LHFVIUMPSA-N. The full InChI is InChI=1S/C27H24F4N4O5/c1-15(27(29,30)31)34(12-16-3-6-19(28)7-4-16)23(37)14-35-24(38)26(40-25(35)39)10-22(36)20-9-17(5-8-21(20)26)18-11-32-33(2)13-18/h3-9,11,13,15,22,36H,10,12,14H2,1-2H3/t15-,22-,26-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 560.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(1S,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118956930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).