4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C21H25N5O3 — CID 97344525

About 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 97344525) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
• PubChem CID: 97344525
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cn[nH]c2[C@H]2CCCN(Cc3cc(C)on3)C2)cc1
• InChI: InChI=1S/C21H25N5O3/c1-14-10-17(25-29-14)13-26-9-3-4-16(12-26)20-19(11-22-24-20)23-21(27)15-5-7-18(28-2)8-6-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,22,24)(H,23,27)/t16-/m0/s1
• InChIKey: KIWRHWIUCBZAHP-INIZCTEOSA-N
• XLogP: 3.35
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?

The IUPAC name of 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 97344525) is 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is COc1ccc(C(=O)Nc2cn[nH]c2[C@H]2CCCN(Cc3cc(C)on3)C2)cc1.

What is the InChIKey of 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?

The InChIKey is KIWRHWIUCBZAHP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-10-17(25-29-14)13-26-9-3-4-16(12-26)20-19(11-22-24-20)23-21(27)15-5-7-18(28-2)8-6-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,22,24)(H,23,27)/t16-/m0/s1.

What are the key properties of 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?

4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 97344525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).