4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one

C32H34F2N2O2 — CID 18740746

IUPAC4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(F)c(F)c2)N1CCCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C32H34F2N2O2/c33-28-14-13-23(21-29(28)34)30-22-38-31(37)36(30)18-8-2-1-7-17-35-19-15-32(16-20-35)26-11-5-3-9-24(26)25-10-4-6-12-27(25)32/h3-6,9-14,21,30H,1-2,7-8,15-20,22H2
InChIKeyMJOOYXLPHHNZNI-UHFFFAOYSA-N
MW516.63 g/mol
LogP7.08
Rot. Bonds8

About 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one

4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one (PubChem CID 18740746) has the molecular formula C32H34F2N2O2 and a molecular weight of 516.63 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
PubChem CID18740746
Molecular FormulaC32H34F2N2O2
Molecular Weight516.63 g/mol
Exact Mass516.26
IUPAC Name4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(F)c(F)c2)N1CCCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C32H34F2N2O2/c33-28-14-13-23(21-29(28)34)30-22-38-31(37)36(30)18-8-2-1-7-17-35-19-15-32(16-20-35)26-11-5-3-9-24(26)25-10-4-6-12-27(25)32/h3-6,9-14,21,30H,1-2,7-8,15-20,22H2
InChIKeyMJOOYXLPHHNZNI-UHFFFAOYSA-N
XLogP7.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 9847495
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 9869191
(4S)-4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one
CID 12041103
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740742
4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
CID 18740749
4-(3,4-Difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one
CID 22463984
1-[(E)-5-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pent-3-enyl]-4-phenylpiperidine-4-carbonitrile
CID 22993488
1-[5-[4-(3,4-Difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pent-3-enyl]-4-phenylpiperidine-4-carbonitrile
CID 53699279
(1S,8aS)-1-[(1S)-1-(dibenzylamino)-2-(3,5-difluorophenyl)ethyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 58622432
(3R,5S)-3-(3,4-difluorophenyl)-5-hydroxymethylmorpholine-4-carboxylic acid 9H-fluorene-9-ylmethyl ester
CID 67373021
(3R,5R)-3-(3,4-difluorophenyl)-5-(1-hydroxyethyl)morpholine-4-carboxylic acid 9H-fluorene-9-ylmethyl ester
CID 67373154
9H-fluoren-9-ylmethyl (3S,5R)-3-hydroxymethyl-5-(3,4,5-trifluorophenyl)morpholine-4-carboxylate
CID 67373263

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one (CID 18740746) is 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(F)c(F)c2)N1CCCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
The InChIKey is MJOOYXLPHHNZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2O2/c33-28-14-13-23(21-29(28)34)30-22-38-31(37)36(30)18-8-2-1-7-17-35-19-15-32(16-20-35)26-11-5-3-9-24(26)25-10-4-6-12-27(25)32/h3-6,9-14,21,30H,1-2,7-8,15-20,22H2.
What are the key properties of 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one has a molecular weight of 516.63 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18740746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).