[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol

C6H13NO2 — CID 97178926

IUPAC[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol
SMILESCC1(C)N[C@@H](CO)CO1
InChIInChI=1S/C6H13NO2/c1-6(2)7-5(3-8)4-9-6/h5,7-8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyDJZHDMBGZISZGK-YFKPBYRVSA-N
MW131.17 g/mol
LogP-0.30
Rot. Bonds1

About [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol

[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol (PubChem CID 97178926) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol
PubChem CID97178926
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol
SMILESCC1(C)N[C@@H](CO)CO1
InChIInChI=1S/C6H13NO2/c1-6(2)7-5(3-8)4-9-6/h5,7-8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyDJZHDMBGZISZGK-YFKPBYRVSA-N
XLogP-0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol (CID 97178926) is [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol is CC1(C)N[C@@H](CO)CO1.
What is the InChIKey of [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol?
The InChIKey is DJZHDMBGZISZGK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)7-5(3-8)4-9-6/h5,7-8H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol?
[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol has a molecular weight of 131.17 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 97178926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).