3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one

C16H21NO2 — CID 123354245

IUPAC3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-12-15(13-8-4-2-5-9-13)17(16(18)19-12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3
InChIKeyZXSDPHLKLSUSEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.90
Rot. Bonds2

About 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one

3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 123354245) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID123354245
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-12-15(13-8-4-2-5-9-13)17(16(18)19-12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3
InChIKeyZXSDPHLKLSUSEH-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione
CID 64958331
4-cyclohexyl-3-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 142507215
(3R,4R)-2-cyclohexyl-4-(hydroxymethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 10042596
3-cyclohexyl-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83246962
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 10335511
ethyl (4S,5R)-3-cyclooctyl-2-oxo-5-phenyl-1-propylimidazolidine-4-carboxylate
CID 122397231
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
(3R,4S)-1-[2-[(3R,4S)-2-oxo-3-phenoxy-4-phenylazetidin-1-yl]cyclohexyl]-3-phenoxy-4-phenylazetidin-2-one
CID 102208029
N-cyclohexyl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 11066603
(3aS,4S,7S,7aR)-2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6593595

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one (CID 123354245) is 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one is CC1OC(=O)N(C2CCCCC2)C1c1ccccc1.
What is the InChIKey of 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZXSDPHLKLSUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-15(13-8-4-2-5-9-13)17(16(18)19-12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3.
What are the key properties of 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).