4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C23H27N5O4 — CID 56700714

About 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 56700714) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
• PubChem CID: 56700714
• Molecular Formula: C23H27N5O4
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.21
• IUPAC Name: 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1
• InChI: InChI=1S/C23H27N5O4/c1-15(2)20-14-19(26-32-20)23(30)27-12-9-17(10-13-27)28-21(8-11-24-28)25-22(29)16-4-6-18(31-3)7-5-16/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,25,29)
• InChIKey: MZJZKXNDDDCWFU-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 102.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?

The IUPAC name of 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 56700714) is 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1.

What is the InChIKey of 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?

The InChIKey is MZJZKXNDDDCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15(2)20-14-19(26-32-20)23(30)27-12-9-17(10-13-27)28-21(8-11-24-28)25-22(29)16-4-6-18(31-3)7-5-16/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,25,29).

What are the key properties of 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?

4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 56700714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).