5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide

C24H22BrN5O4 — CID 167936087

About 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide

5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 167936087) has the molecular formula C24H22BrN5O4 and a molecular weight of 524.38 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide
• PubChem CID: 167936087
• Molecular Formula: C24H22BrN5O4
• Molecular Weight: 524.38 g/mol
• Exact Mass: 523.09
• IUPAC Name: 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide
• SMILES: O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1n[nH]c(Br)c1-c1ccccc1
• InChI: InChI=1S/C24H22BrN5O4/c25-22-20(15-7-3-1-4-8-15)21(27-28-22)23(32)26-16-9-10-18-17(13-16)30(24(33)34-18)14-19(31)29-11-5-2-6-12-29/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,26,32)(H,27,28)
• InChIKey: FUTSDUSQUXINBH-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 113.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.38
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide (CID 167936087) is 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide is O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1n[nH]c(Br)c1-c1ccccc1.

What is the InChIKey of 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide?

The InChIKey is FUTSDUSQUXINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O4/c25-22-20(15-7-3-1-4-8-15)21(27-28-22)23(32)26-16-9-10-18-17(13-16)30(24(33)34-18)14-19(31)29-11-5-2-6-12-29/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,26,32)(H,27,28).

What are the key properties of 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide?

5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 524.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167936087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).