(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one

C7H13NO2 — CID 10396945

IUPAC(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@H]1COC(=O)N1
InChIInChI=1S/C7H13NO2/c1-3-5(2)6-4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyZHQQBKYJQYEFTG-NTSWFWBYSA-N
MW143.19 g/mol
LogP1.14
Rot. Bonds2

About (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one

(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 10396945) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one
PubChem CID10396945
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@H]1COC(=O)N1
InChIInChI=1S/C7H13NO2/c1-3-5(2)6-4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyZHQQBKYJQYEFTG-NTSWFWBYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one (CID 10396945) is (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one is CC[C@H](C)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZHQQBKYJQYEFTG-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5(2)6-4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6+/m0/s1.
What are the key properties of (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10396945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).