4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one

C18H24FNO2 — CID 123961424

IUPAC4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one
SMILESCC1CCC(N2C(=O)OC(C)(C)C2c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FNO2/c1-12-4-10-15(11-5-12)20-16(18(2,3)22-17(20)21)13-6-8-14(19)9-7-13/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyVUVLEQFGVNJKLV-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.68
Rot. Bonds2

About 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one

4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one (PubChem CID 123961424) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one
PubChem CID123961424
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one
SMILESCC1CCC(N2C(=O)OC(C)(C)C2c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FNO2/c1-12-4-10-15(11-5-12)20-16(18(2,3)22-17(20)21)13-6-8-14(19)9-7-13/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyVUVLEQFGVNJKLV-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 127054006
1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile
CID 71681179
3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 78148355
3-cyclopentyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83241955
(4S)-5,5-dimethyl-3-[4-[2-oxo-5-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-pyridinylidene]cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 127054015
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
3-(4-methylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83239821
3-(2,2-dimethylcyclopropyl)-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83247124
1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 5064257
1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 4186128
1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 3553510
1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 3287146

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one (CID 123961424) is 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one is CC1CCC(N2C(=O)OC(C)(C)C2c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one?
The InChIKey is VUVLEQFGVNJKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-12-4-10-15(11-5-12)20-16(18(2,3)22-17(20)21)13-6-8-14(19)9-7-13/h6-9,12,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one?
4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one has a molecular weight of 305.39 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123961424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).