5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one

C16H19NO4 — CID 142659781

IUPAC5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1C(O)OC(=O)N1c1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C16H19NO4/c1-10-15(19)21-16(20)17(10)13-6-2-11(3-7-13)12-4-8-14(18)9-5-12/h2-3,6-7,10,12,15,19H,4-5,8-9H2,1H3
InChIKeyUBBFAEJMJJHUFH-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.58
Rot. Bonds2

About 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one

5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 142659781) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID142659781
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1C(O)OC(=O)N1c1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C16H19NO4/c1-10-15(19)21-16(20)17(10)13-6-2-11(3-7-13)12-4-8-14(18)9-5-12/h2-3,6-7,10,12,15,19H,4-5,8-9H2,1H3
InChIKeyUBBFAEJMJJHUFH-UHFFFAOYSA-N
XLogP2.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 15591325
N-{3-[3-Fluoro-4-(4-oxo-cyclohexyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11573815
N-[[(5S)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994601
(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one
CID 59994670
3-(4-(1-Benzyl-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-hydroxy-methyloxazolidin-2-one
CID 69364741
[(5S)-3-[3-fluoro-4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] N-tert-butyl-N-methylcarbamate
CID 90733290
3-[4-(4-Fluorocyclohexyl)phenyl]-5-methoxy-4-methyl-1,3-oxazolidin-2-one
CID 177704101
N-methyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 126806925
(5R)-3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 9882437
2-[4-(2-oxo-1,3-Oxazolidin-3-yl)phenyl]propanoic Acid
CID 12043242
(RS)-3-(4-Cyclohexyl-phenyl)-5-hydroxymethyl-oxazolidin-2-one
CID 15986126
3-(4-Cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one (CID 142659781) is 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one is CC1C(O)OC(=O)N1c1ccc(C2CCC(=O)CC2)cc1.
What is the InChIKey of 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UBBFAEJMJJHUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-15(19)21-16(20)17(10)13-6-2-11(3-7-13)12-4-8-14(18)9-5-12/h2-3,6-7,10,12,15,19H,4-5,8-9H2,1H3.
What are the key properties of 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142659781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).