[(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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Related Compounds

3-(1,1-Dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one
CID 2802885
AC1Mdpnd
CID 2793788
(S)-3-(1,1-Dimethylethyl)oxazolidine-5-methanol
CID 121778
(5R)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 6928746
1-Tert-butyl-3,4-dimethoxypyrrolidine
CID 12349494
1-Methoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 13914764
4-Methoxy-1-methylpyrrolidin-3-ol
CID 18406065
3-Methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol
CID 19939671
(3-Methyl-1,3-oxazolidin-5-yl)methanol
CID 20328371
1-(2,3-Dimethyl-1,3-oxazolidin-2-yl)ethanol
CID 20507418
[2,3-Dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
CID 20583766
5-Oxazolidinemethanol, 2,3-dimethyl-2-(1-methylethyl)-
CID 20583767

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).