2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole

C20H20FN3O3S — CID 9036895

IUPAC2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C20H20FN3O3S/c21-17-8-6-16(7-9-17)19-14-22-20(27-19)15-23-10-12-24(13-11-23)28(25,26)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKeyMGYZTMDMFFDOEI-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.99
Rot. Bonds5

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

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole (PubChem CID 9036895) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
PubChem CID9036895
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C20H20FN3O3S/c21-17-8-6-16(7-9-17)19-14-22-20(27-19)15-23-10-12-24(13-11-23)28(25,26)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKeyMGYZTMDMFFDOEI-UHFFFAOYSA-N
XLogP2.99
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 17488115
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 8966508
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46690874
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 26064309
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 26082227
5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18136751
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582032

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole (CID 9036895) is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole is O=S(=O)(c1ccccc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is MGYZTMDMFFDOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c21-17-8-6-16(7-9-17)19-14-22-20(27-19)15-23-10-12-24(13-11-23)28(25,26)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2.
What are the key properties of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole?
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 401.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 9036895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).