5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine

C₁₀H₁₃N₃OS — CID 115925247

About 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine

5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (PubChem CID 115925247) has the molecular formula C₁₀H₁₃N₃OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

• Compound Name: 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
• PubChem CID: 115925247
• Molecular Formula: C₁₀H₁₃N₃OS
• Molecular Weight: 223.30 g/mol
• Exact Mass: 223.08
• IUPAC Name: 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
• SMILES: CC(C)c1cc(NCc2cscn2)no1
• InChI: InChI=1S/C10H13N3OS/c1-7(2)9-3-10(13-14-9)11-4-8-5-15-6-12-8/h3,5-7H,4H2,1-2H3,(H,11,13)
• InChIKey: YQLRNWKHJYPEJL-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 50.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.30
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?

The IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (CID 115925247) is 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.

What is the SMILES notation for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?

The canonical SMILES for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is CC(C)c1cc(NCc2cscn2)no1.

What is the InChIKey of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?

The InChIKey is YQLRNWKHJYPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(2)9-3-10(13-14-9)11-4-8-5-15-6-12-8/h3,5-7H,4H2,1-2H3,(H,11,13).

What are the key properties of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?

5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115925247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115925247 — identifiers, structure, computed properties (public domain)

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