(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C11H21NO3 — CID 10943874

IUPAC(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)C[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C11H21NO3/c1-6(2)8(13)5-9-10(7(3)4)12-11(14)15-9/h6-10,13H,5H2,1-4H3,(H,12,14)/t8-,9+,10-/m0/s1
InChIKeyNOMGNDDIFWIHBK-AEJSXWLSSA-N
MW215.29 g/mol
LogP1.53
Rot. Bonds4

About (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10943874) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10943874
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)C[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C11H21NO3/c1-6(2)8(13)5-9-10(7(3)4)12-11(14)15-9/h6-10,13H,5H2,1-4H3,(H,12,14)/t8-,9+,10-/m0/s1
InChIKeyNOMGNDDIFWIHBK-AEJSXWLSSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10943874) is (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H](O)C[C@H]1OC(=O)N[C@H]1C(C)C.
What is the InChIKey of (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NOMGNDDIFWIHBK-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6(2)8(13)5-9-10(7(3)4)12-11(14)15-9/h6-10,13H,5H2,1-4H3,(H,12,14)/t8-,9+,10-/m0/s1.
What are the key properties of (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 215.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10943874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).