[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C25H24FN3O3 — CID 129455747

About [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 129455747) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
• PubChem CID: 129455747
• Molecular Formula: C25H24FN3O3
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.18
• IUPAC Name: [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
• SMILES: COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)cc2c1
• InChI: InChI=1S/C25H24FN3O3/c1-31-19-9-10-21-17(13-19)14-22(28-21)25(30)29-11-3-2-4-23(29)24-27-15-20(32-24)12-16-5-7-18(26)8-6-16/h5-10,13-15,23,28H,2-4,11-12H2,1H3/t23-/m0/s1
• InChIKey: JJBPZPYQSAKKSR-QHCPKHFHSA-N
• XLogP: 5.26
• TPSA: 71.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 129455747) is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

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

The canonical SMILES for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)cc2c1.

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

The InChIKey is JJBPZPYQSAKKSR-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-31-19-9-10-21-17(13-19)14-22(28-21)25(30)29-11-3-2-4-23(29)24-27-15-20(32-24)12-16-5-7-18(26)8-6-16/h5-10,13-15,23,28H,2-4,11-12H2,1H3/t23-/m0/s1.

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

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 433.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 129455747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).