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

C30H31FN4O4 — CID 118956860

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

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118956860) has the molecular formula C30H31FN4O4 and a molecular weight of 530.60 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
• PubChem CID: 118956860
• Molecular Formula: C30H31FN4O4
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.23
• IUPAC Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
• SMILES: Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2=O)cn1
• InChI: InChI=1S/C30H31FN4O4/c1-33-18-23(16-32-33)21-9-12-26-22(15-21)13-14-30(26)28(37)35(29(38)39-30)19-27(36)34(25-5-3-2-4-6-25)17-20-7-10-24(31)11-8-20/h7-12,15-16,18,25H,2-6,13-14,17,19H2,1H3/t30-/m1/s1
• InChIKey: YFSHDSBGXJDAAJ-SSEXGKCCSA-N
• XLogP: 4.71
• TPSA: 84.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118956860) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2=O)cn1.

What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The InChIKey is YFSHDSBGXJDAAJ-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H31FN4O4/c1-33-18-23(16-32-33)21-9-12-26-22(15-21)13-14-30(26)28(37)35(29(38)39-30)19-27(36)34(25-5-3-2-4-6-25)17-20-7-10-24(31)11-8-20/h7-12,15-16,18,25H,2-6,13-14,17,19H2,1H3/t30-/m1/s1.

What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 530.60 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118956860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).