[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone

C23H19FN4O2S — CID 90540310

About [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone

[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 90540310) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
• PubChem CID: 90540310
• Molecular Formula: C23H19FN4O2S
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.12
• IUPAC Name: [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
• SMILES: O=C(c1cnc(-c2ccccc2)o1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1
• InChI: InChI=1S/C23H19FN4O2S/c24-18-11-5-4-10-17(18)22-27-26-21(31-22)16-9-6-12-28(14-16)23(29)19-13-25-20(30-19)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2
• InChIKey: VWUXACVBTBBXGY-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?

The IUPAC name of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (CID 90540310) is [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

What is the SMILES notation for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?

The canonical SMILES for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is O=C(c1cnc(-c2ccccc2)o1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1.

What is the InChIKey of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?

The InChIKey is VWUXACVBTBBXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c24-18-11-5-4-10-17(18)22-27-26-21(31-22)16-9-6-12-28(14-16)23(29)19-13-25-20(30-19)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2.

What are the key properties of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?

[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 434.50 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 90540310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).