2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile

C24H26F2N4O2 — CID 18726972

IUPAC2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCC(NCCCN2C(=O)OCC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H26F2N4O2/c25-20-7-6-17(14-21(20)26)23-16-32-24(31)30(23)11-3-10-28-19-8-12-29(13-9-19)22-5-2-1-4-18(22)15-27/h1-2,4-7,14,19,23,28H,3,8-13,16H2
InChIKeyFYWVIHPSJUFXDI-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.98
Rot. Bonds7

About 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile

2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile (PubChem CID 18726972) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile
PubChem CID18726972
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCC(NCCCN2C(=O)OCC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H26F2N4O2/c25-20-7-6-17(14-21(20)26)23-16-32-24(31)30(23)11-3-10-28-19-8-12-29(13-9-19)22-5-2-1-4-18(22)15-27/h1-2,4-7,14,19,23,28H,3,8-13,16H2
InChIKeyFYWVIHPSJUFXDI-UHFFFAOYSA-N
XLogP3.98
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile 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-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile (CID 18726972) is 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile is N#Cc1ccccc1N1CCC(NCCCN2C(=O)OCC2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile?
The InChIKey is FYWVIHPSJUFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c25-20-7-6-17(14-21(20)26)23-16-32-24(31)30(23)11-3-10-28-19-8-12-29(13-9-19)22-5-2-1-4-18(22)15-27/h1-2,4-7,14,19,23,28H,3,8-13,16H2.
What are the key properties of 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile?
2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile has a molecular weight of 440.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 18726972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).