4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C15H18FN3O3S — CID 15994329

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H18FN3O3S/c1-11-15(12(2)22-17-11)23(20,21)19-9-7-18(8-10-19)14-6-4-3-5-13(14)16/h3-6H,7-10H2,1-2H3
InChIKeyOIMOUYWGKAIBAG-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.94
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 15994329) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID15994329
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H18FN3O3S/c1-11-15(12(2)22-17-11)23(20,21)19-9-7-18(8-10-19)14-6-4-3-5-13(14)16/h3-6H,7-10H2,1-2H3
InChIKeyOIMOUYWGKAIBAG-UHFFFAOYSA-N
XLogP1.94
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 15994329) is 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is OIMOUYWGKAIBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-11-15(12(2)22-17-11)23(20,21)19-9-7-18(8-10-19)14-6-4-3-5-13(14)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 339.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 15994329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).