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

C24H21ClFN3O2 — CID 155986930

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

[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 155986930) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
• PubChem CID: 155986930
• Molecular Formula: C24H21ClFN3O2
• Molecular Weight: 437.90 g/mol
• Exact Mass: 437.13
• IUPAC Name: [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
• SMILES: O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1
• InChI: InChI=1S/C24H21ClFN3O2/c25-18-5-1-3-15(9-18)10-20-13-27-23(31-20)16-4-2-8-29(14-16)24(30)22-12-17-11-19(26)6-7-21(17)28-22/h1,3,5-7,9,11-13,16,28H,2,4,8,10,14H2
• InChIKey: BUAZIMAVMSCWPN-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.90
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 155986930) is [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

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

The canonical SMILES for [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1.

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

The InChIKey is BUAZIMAVMSCWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O2/c25-18-5-1-3-15(9-18)10-20-13-27-23(31-20)16-4-2-8-29(14-16)24(30)22-12-17-11-19(26)6-7-21(17)28-22/h1,3,5-7,9,11-13,16,28H,2,4,8,10,14H2.

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

[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 437.90 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 155986930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).