4-pyridin-2-yl-1,3-oxazol-2-amine

CAS No.：

Cat. No.: SC261694

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Product Name :4-pyridin-2-yl-1,3-oxazol-2-amine

Cat. No.: :SC261694

Purity / Specification :—

CAS No. :1014629-84-5

MDL No. :—

Molecular Formula :C₈H₇N₃O

LogP :0.60

Molecular Weight :161.16

TPSA :64.9

Category :Drug Discovery

HSN Code :—

SMILES Code :Nc1nc(-c2ccccn2)co1

Melting Point :—

InChI Key : :OHXVGLQBMNCUJR-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 161.2 Da

LogP ≤ 5✓ 0.60

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

66/100

Moderate — typical building block

Predicted LogP

0.60log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.9Å² · 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.