(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol

C8H9NO2 — CID 58221792

IUPAC(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
SMILESC#C[C@](C)(O)c1cc(C)on1
InChIInChI=1S/C8H9NO2/c1-4-8(3,10)7-5-6(2)11-9-7/h1,5,10H,2-3H3/t8-/m0/s1
InChIKeyYUGDGZWIUSSLGX-QMMMGPOBSA-N
MW151.16 g/mol
LogP0.82
Rot. Bonds1

About (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol

(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol (PubChem CID 58221792) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
PubChem CID58221792
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
SMILESC#C[C@](C)(O)c1cc(C)on1
InChIInChI=1S/C8H9NO2/c1-4-8(3,10)7-5-6(2)11-9-7/h1,5,10H,2-3H3/t8-/m0/s1
InChIKeyYUGDGZWIUSSLGX-QMMMGPOBSA-N
XLogP0.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol 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-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol?
The IUPAC name of (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol (CID 58221792) is (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol.
What is the SMILES notation for (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol?
The canonical SMILES for (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol is C#C[C@](C)(O)c1cc(C)on1.
What is the InChIKey of (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol?
The InChIKey is YUGDGZWIUSSLGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9NO2/c1-4-8(3,10)7-5-6(2)11-9-7/h1,5,10H,2-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol?
(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol has a molecular weight of 151.16 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol is sourced from PubChem (CID 58221792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).