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

C18H23FN4O3S — CID 126892897

IUPAC4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H23FN4O3S/c1-13-18(14(2)26-20-13)27(24,25)23-11-17(12-23)22-9-7-21(8-10-22)16-5-3-15(19)4-6-16/h3-6,17H,7-12H2,1-2H3
InChIKeyZITLEKPAOHCVKL-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.63
Rot. Bonds4

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

4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 126892897) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID126892897
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H23FN4O3S/c1-13-18(14(2)26-20-13)27(24,25)23-11-17(12-23)22-9-7-21(8-10-22)16-5-3-15(19)4-6-16/h3-6,17H,7-12H2,1-2H3
InChIKeyZITLEKPAOHCVKL-UHFFFAOYSA-N
XLogP1.63
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20855591
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 66203511
3,5-dimethyl-4-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113077780
1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
CID 126892901
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
3,5-dimethyl-4-[[4-(4-nitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 30159035
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
3,5-dimethyl-4-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113081207
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 9207355
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 3240304

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 126892897) is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZITLEKPAOHCVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-13-18(14(2)26-20-13)27(24,25)23-11-17(12-23)22-9-7-21(8-10-22)16-5-3-15(19)4-6-16/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 394.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 126892897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).