(5-methyl-1,3,4-oxadiazol-2-yl)boronic acid
CAS No.：
Cat. No.: SC25913
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Product Name :(5-methyl-1,3,4-oxadiazol-2-yl)boronic acid
Cat. No.: :SC25913
Purity / Specification :—
CAS No. :1449010-82-5
MDL No. :MFCD12027126
Molecular Formula :C3H5BN2O3
LogP :-1.94
Molecular Weight :127.89
TPSA :79.4
Category :Building Blocks
HSN Code :—
SMILES Code :B(C1=NN=C(O1)C)(O)O
Melting Point :—
InChI Key : :AXVYHISKUNIAAO-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 127.9 Da
LogP ≤ 5✓ -1.94
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i47/100
Fragment / low drug-likeness
Predicted LogP
i-1.94log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 79.4Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.