(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one

C8H15NO2 — CID 97000604

IUPAC(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C[C@H]1CNC(=O)O1
InChIInChI=1S/C8H15NO2/c1-8(2,3)4-6-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyQITDQYHNAWOLCR-LURJTMIESA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds1

About (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one

(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one (PubChem CID 97000604) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
PubChem CID97000604
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C[C@H]1CNC(=O)O1
InChIInChI=1S/C8H15NO2/c1-8(2,3)4-6-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyQITDQYHNAWOLCR-LURJTMIESA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one (CID 97000604) is (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one is CC(C)(C)C[C@H]1CNC(=O)O1.
What is the InChIKey of (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is QITDQYHNAWOLCR-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)4-6-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one?
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 97000604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).