2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide

C21H19FN4O2 — CID 24791182

About 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide

2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 24791182) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
• PubChem CID: 24791182
• Molecular Formula: C21H19FN4O2
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.15
• IUPAC Name: 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
• SMILES: Cc1cc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)n[nH]1
• InChI: InChI=1S/C21H19FN4O2/c1-13-9-16(25-24-13)12-26(2)21(27)15-7-8-18-19(10-15)28-20(23-18)11-14-5-3-4-6-17(14)22/h3-10H,11-12H2,1-2H3,(H,24,25)
• InChIKey: CHWCXAYCLPHIBZ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?

The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide (CID 24791182) is 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide.

What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?

The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide is Cc1cc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)n[nH]1.

What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?

The InChIKey is CHWCXAYCLPHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-9-16(25-24-13)12-26(2)21(27)15-7-8-18-19(10-15)28-20(23-18)11-14-5-3-4-6-17(14)22/h3-10H,11-12H2,1-2H3,(H,24,25).

What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?

2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24791182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).