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

C7H13NO2 — CID 6950844

IUPAC(4S)-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyWKUHGFGTMLOSKM-RXMQYKEDSA-N
MW143.19 g/mol
LogP1.14
Rot. Bonds

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

(4S)-4-tert-butyl-1,3-oxazolidin-2-one (PubChem CID 6950844) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1,3-oxazolidin-2-one
PubChem CID6950844
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4S)-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyWKUHGFGTMLOSKM-RXMQYKEDSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-1,3-oxazolidin-2-one (CID 6950844) is (4S)-4-tert-butyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-1,3-oxazolidin-2-one is CC(C)(C)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-tert-butyl-1,3-oxazolidin-2-one?
The InChIKey is WKUHGFGTMLOSKM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-1,3-oxazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6950844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).