[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone

C21H17FN4O2S — CID 16672490

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1-c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H17FN4O2S/c22-15-6-2-1-5-14(15)19-18(23-13-28-19)20(27)25-9-11-26(12-10-25)21-24-16-7-3-4-8-17(16)29-21/h1-8,13H,9-12H2
InChIKeyLUYYEKRZJUZCFG-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.05
Rot. Bonds3

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 16672490) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone
PubChem CID16672490
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1-c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H17FN4O2S/c22-15-6-2-1-5-14(15)19-18(23-13-28-19)20(27)25-9-11-26(12-10-25)21-24-16-7-3-4-8-17(16)29-21/h1-8,13H,9-12H2
InChIKeyLUYYEKRZJUZCFG-UHFFFAOYSA-N
XLogP4.05
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone (CID 16672490) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone is O=C(c1ncoc1-c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is LUYYEKRZJUZCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c22-15-6-2-1-5-14(15)19-18(23-13-28-19)20(27)25-9-11-26(12-10-25)21-24-16-7-3-4-8-17(16)29-21/h1-8,13H,9-12H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 408.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 16672490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).