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

C30H26F4N4O5 — CID 134327364

IUPAC2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(C4=CC=CC(=NC(N)=O)C4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C30H26F4N4O5/c1-17(30(32,33)34)37(15-18-5-8-22(31)9-6-18)25(39)16-38-26(40)29(43-28(38)42)12-11-21-13-20(7-10-24(21)29)19-3-2-4-23(14-19)36-27(35)41/h2-10,13,17H,11-12,14-16H2,1H3,(H2,35,41)/t17?,29-/m1/s1
InChIKeyDKWWHEIIRKBOAD-SNIQBREISA-N
MW598.55 g/mol
LogP4.79
Rot. Bonds6

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

2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide (PubChem CID 134327364) has the molecular formula C30H26F4N4O5 and a molecular weight of 598.55 g/mol. Its IUPAC name is 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
PubChem CID134327364
Molecular FormulaC30H26F4N4O5
Molecular Weight598.55 g/mol
Exact Mass598.18
IUPAC Name2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(C4=CC=CC(=NC(N)=O)C4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C30H26F4N4O5/c1-17(30(32,33)34)37(15-18-5-8-22(31)9-6-18)25(39)16-38-26(40)29(43-28(38)42)12-11-21-13-20(7-10-24(21)29)19-3-2-4-23(14-19)36-27(35)41/h2-10,13,17H,11-12,14-16H2,1H3,(H2,35,41)/t17?,29-/m1/s1
InChIKeyDKWWHEIIRKBOAD-SNIQBREISA-N
XLogP4.79
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The IUPAC name of 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide (CID 134327364) is 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide.
What is the SMILES notation for 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The canonical SMILES for 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide is CC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(C4=CC=CC(=NC(N)=O)C4)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The InChIKey is DKWWHEIIRKBOAD-SNIQBREISA-N. The full InChI is InChI=1S/C30H26F4N4O5/c1-17(30(32,33)34)37(15-18-5-8-22(31)9-6-18)25(39)16-38-26(40)29(43-28(38)42)12-11-21-13-20(7-10-24(21)29)19-3-2-4-23(14-19)36-27(35)41/h2-10,13,17H,11-12,14-16H2,1H3,(H2,35,41)/t17?,29-/m1/s1.
What are the key properties of 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide has a molecular weight of 598.55 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide is sourced from PubChem (CID 134327364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).