(4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one

C9H17NO2 — CID 146637015

IUPAC(4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one
SMILESCCN1OC[C@@H](C(C)(C)C)C1=O
InChIInChI=1S/C9H17NO2/c1-5-10-8(11)7(6-12-10)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyHYRMKPKRKCMAQI-SSDOTTSWSA-N
MW171.24 g/mol
LogP1.44
Rot. Bonds1

About (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one

(4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one (PubChem CID 146637015) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one
PubChem CID146637015
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one
SMILESCCN1OC[C@@H](C(C)(C)C)C1=O
InChIInChI=1S/C9H17NO2/c1-5-10-8(11)7(6-12-10)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyHYRMKPKRKCMAQI-SSDOTTSWSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one?
The IUPAC name of (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one (CID 146637015) is (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one?
The canonical SMILES for (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one is CCN1OC[C@@H](C(C)(C)C)C1=O.
What is the InChIKey of (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one?
The InChIKey is HYRMKPKRKCMAQI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10-8(11)7(6-12-10)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one?
(4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one has a molecular weight of 171.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-ethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 146637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).