[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

C23H21ClN4O2 — CID 124970649

About [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 124970649) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
• PubChem CID: 124970649
• Molecular Formula: C23H21ClN4O2
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.14
• IUPAC Name: [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
• SMILES: O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1
• InChI: InChI=1S/C23H21ClN4O2/c24-16-7-5-6-15(12-16)13-17-14-25-22(30-17)20-10-3-4-11-28(20)23(29)21-18-8-1-2-9-19(18)26-27-21/h1-2,5-9,12,14,20H,3-4,10-11,13H2,(H,26,27)/t20-/m0/s1
• InChIKey: JRNMYMKVVRSBQO-FQEVSTJZSA-N
• XLogP: 5.16
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

The IUPAC name of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 124970649) is [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone.

What is the SMILES notation for [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

The canonical SMILES for [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1.

What is the InChIKey of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

The InChIKey is JRNMYMKVVRSBQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-16-7-5-6-15(12-16)13-17-14-25-22(30-17)20-10-3-4-11-28(20)23(29)21-18-8-1-2-9-19(18)26-27-21/h1-2,5-9,12,14,20H,3-4,10-11,13H2,(H,26,27)/t20-/m0/s1.

What are the key properties of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 420.90 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 124970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).