3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one

C26H31FN6O3 — CID 11512093

IUPAC3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
SMILESCC(C)Cn1cc(-c2ccnc(NC3CCC(N4CCOC4=O)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H31FN6O3/c1-17(2)15-31-16-23(33(25(31)34)21-7-3-18(27)4-8-21)22-11-12-28-24(30-22)29-19-5-9-20(10-6-19)32-13-14-36-26(32)35/h3-4,7-8,11-12,16-17,19-20H,5-6,9-10,13-15H2,1-2H3,(H,28,29,30)
InChIKeyWMSLUKJCGGPRCG-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.07
Rot. Bonds7

About 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one

3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one (PubChem CID 11512093) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
PubChem CID11512093
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
SMILESCC(C)Cn1cc(-c2ccnc(NC3CCC(N4CCOC4=O)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H31FN6O3/c1-17(2)15-31-16-23(33(25(31)34)21-7-3-18(27)4-8-21)22-11-12-28-24(30-22)29-19-5-9-20(10-6-19)32-13-14-36-26(32)35/h3-4,7-8,11-12,16-17,19-20H,5-6,9-10,13-15H2,1-2H3,(H,28,29,30)
InChIKeyWMSLUKJCGGPRCG-UHFFFAOYSA-N
XLogP4.07
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one (CID 11512093) is 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one is CC(C)Cn1cc(-c2ccnc(NC3CCC(N4CCOC4=O)CC3)n2)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
The InChIKey is WMSLUKJCGGPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-17(2)15-31-16-23(33(25(31)34)21-7-3-18(27)4-8-21)22-11-12-28-24(30-22)29-19-5-9-20(10-6-19)32-13-14-36-26(32)35/h3-4,7-8,11-12,16-17,19-20H,5-6,9-10,13-15H2,1-2H3,(H,28,29,30).
What are the key properties of 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one has a molecular weight of 494.57 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11512093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).