2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole

C14H18ClN5O — CID 106375765

About 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole

2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 106375765) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole
• PubChem CID: 106375765
• Molecular Formula: C14H18ClN5O
• Molecular Weight: 307.79 g/mol
• Exact Mass: 307.12
• IUPAC Name: 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole
• SMILES: CCc1nn(C)c2c1nc(CCCl)n2Cc1ncc(C)o1
• InChI: InChI=1S/C14H18ClN5O/c1-4-10-13-14(19(3)18-10)20(11(17-13)5-6-15)8-12-16-7-9(2)21-12/h7H,4-6,8H2,1-3H3
• InChIKey: SXNNMTYNMPOMNW-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.79
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole?

The IUPAC name of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole (CID 106375765) is 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole.

What is the SMILES notation for 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole?

The canonical SMILES for 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole is CCc1nn(C)c2c1nc(CCCl)n2Cc1ncc(C)o1.

What is the InChIKey of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole?

The InChIKey is SXNNMTYNMPOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-10-13-14(19(3)18-10)20(11(17-13)5-6-15)8-12-16-7-9(2)21-12/h7H,4-6,8H2,1-3H3.

What are the key properties of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole?

2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 307.79 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106375765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).