3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one

C₈H₁₂N₂O₂ — CID 82413377

About 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one

3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one (PubChem CID 82413377) has the molecular formula C₈H₁₂N₂O₂ and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one.

Molecular Properties

• Compound Name: 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
• PubChem CID: 82413377
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.20 g/mol
• Exact Mass: 168.09
• IUPAC Name: 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
• SMILES: CC(=O)C(N)Cc1nc(C)co1
• InChI: InChI=1S/C8H12N2O2/c1-5-4-12-8(10-5)3-7(9)6(2)11/h4,7H,3,9H2,1-2H3
• InChIKey: WLAJCRUSWVCUJP-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 69.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	168.20
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?

The IUPAC name of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one (CID 82413377) is 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one.

What is the SMILES notation for 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?

The canonical SMILES for 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one is CC(=O)C(N)Cc1nc(C)co1.

What is the InChIKey of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?

The InChIKey is WLAJCRUSWVCUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-4-12-8(10-5)3-7(9)6(2)11/h4,7H,3,9H2,1-2H3.

What are the key properties of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?

3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one is sourced from PubChem (CID 82413377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82413377 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.