3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C16H21NO3 — CID 15986126

IUPAC3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c18-11-15-10-17(16(19)20-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15,18H,1-5,10-11H2
InChIKeyPZGXDQQJXIYJAH-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.05
Rot. Bonds3

About 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 15986126) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID15986126
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c18-11-15-10-17(16(19)20-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15,18H,1-5,10-11H2
InChIKeyPZGXDQQJXIYJAH-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 15986126) is 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is PZGXDQQJXIYJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-11-15-10-17(16(19)20-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15,18H,1-5,10-11H2.
What are the key properties of 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15986126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).