N-[(4-fluorophenyl)methyl]-2-[(3R)-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

C27H24F4N4O4 — CID 118957676

IUPACN-[(4-fluorophenyl)methyl]-2-[(3R)-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(CCc3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H24F4N4O4/c1-16(27(29,30)31)34(13-17-3-6-21(28)7-4-17)23(36)15-35-24(37)26(39-25(35)38)10-9-19-11-18(5-8-22(19)26)20-12-32-33(2)14-20/h3-8,11-12,14,16H,9-10,13,15H2,1-2H3/t16-,26+/m0/s1
InChIKeyYRGODYPQXVMSCZ-YHAMSUFESA-N
MW544.51 g/mol
LogP4.33
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(3R)-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-[(3R)-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 118957676) has the molecular formula C27H24F4N4O4 and a molecular weight of 544.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R)-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-[(3R)-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 CID118957676
Molecular FormulaC27H24F4N4O4
Molecular Weight544.51 g/mol
Exact Mass544.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(3R)-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(CCc3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H24F4N4O4/c1-16(27(29,30)31)34(13-17-3-6-21(28)7-4-17)23(36)15-35-24(37)26(39-25(35)38)10-9-19-11-18(5-8-22(19)26)20-12-32-33(2)14-20/h3-8,11-12,14,16H,9-10,13,15H2,1-2H3/t16-,26+/m0/s1
InChIKeyYRGODYPQXVMSCZ-YHAMSUFESA-N
XLogP4.33
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R)-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-[(3R)-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 118957676) is N-[(4-fluorophenyl)methyl]-2-[(3R)-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-[(3R)-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-[(3R)-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(CCc3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3R)-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 YRGODYPQXVMSCZ-YHAMSUFESA-N. The full InChI is InChI=1S/C27H24F4N4O4/c1-16(27(29,30)31)34(13-17-3-6-21(28)7-4-17)23(36)15-35-24(37)26(39-25(35)38)10-9-19-11-18(5-8-22(19)26)20-12-32-33(2)14-20/h3-8,11-12,14,16H,9-10,13,15H2,1-2H3/t16-,26+/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3R)-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-[(3R)-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 544.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(3R)-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 118957676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).