[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol

C8H17NO2 — CID 21120093

IUPAC[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)(C)N1CO[C@H](CO)C1
InChIInChI=1S/C8H17NO2/c1-8(2,3)9-4-7(5-10)11-6-9/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyUOAOHHKCFZRLLL-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.44
Rot. Bonds1

About [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol

[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 21120093) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol
PubChem CID21120093
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)(C)N1CO[C@H](CO)C1
InChIInChI=1S/C8H17NO2/c1-8(2,3)9-4-7(5-10)11-6-9/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyUOAOHHKCFZRLLL-ZETCQYMHSA-N
XLogP0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol (CID 21120093) is [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol is CC(C)(C)N1CO[C@H](CO)C1.
What is the InChIKey of [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is UOAOHHKCFZRLLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)9-4-7(5-10)11-6-9/h7,10H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol?
[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 159.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 21120093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).