(2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one

C7H10N2O2 — CID 58619524

IUPAC(2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one
SMILESCC[C@H](N)C(=O)c1ncco1
InChIInChI=1S/C7H10N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2,8H2,1H3/t5-/m0/s1
InChIKeyQXLOFOSUASFEQM-YFKPBYRVSA-N
MW154.17 g/mol
LogP0.59
Rot. Bonds3

About (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one

(2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one (PubChem CID 58619524) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one
PubChem CID58619524
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one
SMILESCC[C@H](N)C(=O)c1ncco1
InChIInChI=1S/C7H10N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2,8H2,1H3/t5-/m0/s1
InChIKeyQXLOFOSUASFEQM-YFKPBYRVSA-N
XLogP0.59
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one (CID 58619524) is (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one is CC[C@H](N)C(=O)c1ncco1.
What is the InChIKey of (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
The InChIKey is QXLOFOSUASFEQM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2,8H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
(2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one has a molecular weight of 154.17 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 58619524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).