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

C14H16FN3O3S — CID 138709994

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole
SMILESCc1nocc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FN3O3S/c1-11-14(10-21-16-11)22(19,20)18-8-6-17(7-9-18)13-4-2-12(15)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyMHTBABKAJSLMPG-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.63
Rot. Bonds3

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

4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole (PubChem CID 138709994) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole
PubChem CID138709994
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole
SMILESCc1nocc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FN3O3S/c1-11-14(10-21-16-11)22(19,20)18-8-6-17(7-9-18)13-4-2-12(15)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyMHTBABKAJSLMPG-UHFFFAOYSA-N
XLogP1.63
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole (CID 138709994) is 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole is Cc1nocc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole?
The InChIKey is MHTBABKAJSLMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-11-14(10-21-16-11)22(19,20)18-8-6-17(7-9-18)13-4-2-12(15)3-5-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole?
4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole has a molecular weight of 325.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 138709994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).