4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole

C₁₁H₁₀N₂O — CID 10797636

About 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole

4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole (PubChem CID 10797636) has the molecular formula C₁₁H₁₀N₂O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole.

Molecular Properties

• Compound Name: 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole
• PubChem CID: 10797636
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 186.21 g/mol
• Exact Mass: 186.08
• IUPAC Name: 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole
• SMILES: CC1=CCN=C2Oc3ccccc3N12
• InChI: InChI=1S/C11H10N2O/c1-8-6-7-12-11-13(8)9-4-2-3-5-10(9)14-11/h2-6H,7H2,1H3
• InChIKey: VVCPSDDPALKJBZ-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.21
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole?

The IUPAC name of 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole (CID 10797636) is 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole.

What is the SMILES notation for 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole?

The canonical SMILES for 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole is CC1=CCN=C2Oc3ccccc3N12.

What is the InChIKey of 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole?

The InChIKey is VVCPSDDPALKJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-6-7-12-11-13(8)9-4-2-3-5-10(9)14-11/h2-6H,7H2,1H3.

What are the key properties of 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole?

4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole has a molecular weight of 186.21 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2H-pyrimido[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 10797636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10797636 — identifiers, structure, computed properties (public domain)

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