(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one

C14H19NO2 — CID 90178842

IUPAC(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@@H]2CN(C(C)(C)C)C(=O)O2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-5-7-11(8-10)12-9-15(13(16)17-12)14(2,3)4/h5-8,12H,9H2,1-4H3/t12-/m0/s1
InChIKeyJLKPYMVHLPBNQF-LBPRGKRZSA-N
MW233.31 g/mol
LogP3.29
Rot. Bonds1

About (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one

(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 90178842) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID90178842
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@@H]2CN(C(C)(C)C)C(=O)O2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-5-7-11(8-10)12-9-15(13(16)17-12)14(2,3)4/h5-8,12H,9H2,1-4H3/t12-/m0/s1
InChIKeyJLKPYMVHLPBNQF-LBPRGKRZSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 90178842) is (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc([C@@H]2CN(C(C)(C)C)C(=O)O2)c1.
What is the InChIKey of (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is JLKPYMVHLPBNQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-5-7-11(8-10)12-9-15(13(16)17-12)14(2,3)4/h5-8,12H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90178842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).