N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide

C25H25F3N4O3 — CID 54465196

IUPACN-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide
SMILESN#CC1(c2ccccc2)CCC(NCCNC(=O)N2C(=O)OCC2c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C25H25F3N4O3/c26-19-12-16(13-20(27)22(19)28)21-14-35-24(34)32(21)23(33)31-11-10-30-18-6-8-25(15-29,9-7-18)17-4-2-1-3-5-17/h1-5,12-13,18,21,30H,6-11,14H2,(H,31,33)
InChIKeyXEIUADLUHYGLSO-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.30
Rot. Bonds6

About N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide

N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide (PubChem CID 54465196) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide
PubChem CID54465196
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC NameN-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide
SMILESN#CC1(c2ccccc2)CCC(NCCNC(=O)N2C(=O)OCC2c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C25H25F3N4O3/c26-19-12-16(13-20(27)22(19)28)21-14-35-24(34)32(21)23(33)31-11-10-30-18-6-8-25(15-29,9-7-18)17-4-2-1-3-5-17/h1-5,12-13,18,21,30H,6-11,14H2,(H,31,33)
InChIKeyXEIUADLUHYGLSO-UHFFFAOYSA-N
XLogP4.30
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-difluorophenyl)-N-[2-[(4-methylsulfonyl-4-phenylcyclohexyl)amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
CID 18789781
methyl 4-[2-[[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carbonyl]amino]ethylamino]-1-phenylcyclohexane-1-carboxylate
CID 54253775
4-[4-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carbonyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile
CID 10435840
methyl 1-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethylcarbamoyl]-6-(3,4-difluorophenyl)-4-formyl-2-oxo-1,3-diazinane-5-carboxylate
CID 91576771
N-[3-[4-cyano-4-(2,4-dichlorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 22993495
4-(3,4-difluorophenyl)-2-oxo-N-[2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidine-3-carboxamide
CID 18726987
N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide
CID 22049486
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide
CID 139908166
(4S)-N-[[1-[1-(2-cyanophenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 54223726
2-[[(4-cyano-4-phenylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
CID 122128821
(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 10281391

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide (CID 54465196) is N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide is N#CC1(c2ccccc2)CCC(NCCNC(=O)N2C(=O)OCC2c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide?
The InChIKey is XEIUADLUHYGLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c26-19-12-16(13-20(27)22(19)28)21-14-35-24(34)32(21)23(33)31-11-10-30-18-6-8-25(15-29,9-7-18)17-4-2-1-3-5-17/h1-5,12-13,18,21,30H,6-11,14H2,(H,31,33).
What are the key properties of N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide?
N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 54465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).