1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

C23H21Cl2N5O2 — CID 24597757

About 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 24597757) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
• PubChem CID: 24597757
• Molecular Formula: C23H21Cl2N5O2
• Molecular Weight: 470.36 g/mol
• Exact Mass: 469.11
• IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
• SMILES: O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCN(c2nc3ccccc3o2)CC1
• InChI: InChI=1S/C23H21Cl2N5O2/c24-17-5-3-4-16(21(17)25)14-30-20(8-11-26-30)28-22(31)15-9-12-29(13-10-15)23-27-18-6-1-2-7-19(18)32-23/h1-8,11,15H,9-10,12-14H2,(H,28,31)
• InChIKey: FPILJGRHIXOSEQ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.36
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (CID 24597757) is 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCN(c2nc3ccccc3o2)CC1.

What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?

The InChIKey is FPILJGRHIXOSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c24-17-5-3-4-16(21(17)25)14-30-20(8-11-26-30)28-22(31)15-9-12-29(13-10-15)23-27-18-6-1-2-7-19(18)32-23/h1-8,11,15H,9-10,12-14H2,(H,28,31).

What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?

1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24597757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).