3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

C13H17NO3 — CID 83896556

IUPAC3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(c2ccc(O)cc2)OC1=O
InChIInChI=1S/C13H17NO3/c1-13(2,3)14-8-11(17-12(14)16)9-4-6-10(15)7-5-9/h4-7,11,15H,8H2,1-3H3
InChIKeyMUEGBFRHFQPOCI-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.68
Rot. Bonds1

About 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 83896556) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID83896556
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(c2ccc(O)cc2)OC1=O
InChIInChI=1S/C13H17NO3/c1-13(2,3)14-8-11(17-12(14)16)9-4-6-10(15)7-5-9/h4-7,11,15H,8H2,1-3H3
InChIKeyMUEGBFRHFQPOCI-UHFFFAOYSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 83896556) is 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is CC(C)(C)N1CC(c2ccc(O)cc2)OC1=O.
What is the InChIKey of 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MUEGBFRHFQPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)14-8-11(17-12(14)16)9-4-6-10(15)7-5-9/h4-7,11,15H,8H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 83896556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).