(4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol

C7H15NO3 — CID 130523509

IUPAC(4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol
SMILESCOCC(C)N1C[C@H](O)CO1
InChIInChI=1S/C7H15NO3/c1-6(4-10-2)8-3-7(9)5-11-8/h6-7,9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyLMLCJOJDIKPGCU-MLWJPKLSSA-N
MW161.20 g/mol
LogP-0.37
Rot. Bonds3

About (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol

(4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol (PubChem CID 130523509) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name(4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol
PubChem CID130523509
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol
SMILESCOCC(C)N1C[C@H](O)CO1
InChIInChI=1S/C7H15NO3/c1-6(4-10-2)8-3-7(9)5-11-8/h6-7,9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyLMLCJOJDIKPGCU-MLWJPKLSSA-N
XLogP-0.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol?
The IUPAC name of (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol (CID 130523509) is (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol.
What is the SMILES notation for (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol?
The canonical SMILES for (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol is COCC(C)N1C[C@H](O)CO1.
What is the InChIKey of (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol?
The InChIKey is LMLCJOJDIKPGCU-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(4-10-2)8-3-7(9)5-11-8/h6-7,9H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol?
(4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol has a molecular weight of 161.20 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1-methoxypropan-2-yl)-1,2-oxazolidin-4-ol is sourced from PubChem (CID 130523509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).