[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol

C8H14N2O2 — CID 10975920

IUPAC[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol
SMILESC[C@@H](CCN)c1nc(CO)co1
InChIInChI=1S/C8H14N2O2/c1-6(2-3-9)8-10-7(4-11)5-12-8/h5-6,11H,2-4,9H2,1H3/t6-/m0/s1
InChIKeyXQJYWIXGZBYVDR-LURJTMIESA-N
MW170.21 g/mol
LogP0.62
Rot. Bonds4

About [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol

[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol (PubChem CID 10975920) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol
PubChem CID10975920
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol
SMILESC[C@@H](CCN)c1nc(CO)co1
InChIInChI=1S/C8H14N2O2/c1-6(2-3-9)8-10-7(4-11)5-12-8/h5-6,11H,2-4,9H2,1H3/t6-/m0/s1
InChIKeyXQJYWIXGZBYVDR-LURJTMIESA-N
XLogP0.62
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol (CID 10975920) is [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol is C[C@@H](CCN)c1nc(CO)co1.
What is the InChIKey of [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol?
The InChIKey is XQJYWIXGZBYVDR-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2-3-9)8-10-7(4-11)5-12-8/h5-6,11H,2-4,9H2,1H3/t6-/m0/s1.
What are the key properties of [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol?
[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 10975920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).