5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole

C26H24FN3O3S — CID 2964756

IUPAC5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H24FN3O3S/c27-22-11-13-23(14-12-22)34(31,32)25-26(33-24(28-25)21-9-5-2-6-10-21)30-17-15-29(16-18-30)19-20-7-3-1-4-8-20/h1-14H,15-19H2
InChIKeyNXVDEWZBNNBPOM-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.64
Rot. Bonds6

About 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole

5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole (PubChem CID 2964756) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
PubChem CID2964756
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC Name5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H24FN3O3S/c27-22-11-13-23(14-12-22)34(31,32)25-26(33-24(28-25)21-9-5-2-6-10-21)30-17-15-29(16-18-30)19-20-7-3-1-4-8-20/h1-14H,15-19H2
InChIKeyNXVDEWZBNNBPOM-UHFFFAOYSA-N
XLogP4.64
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole (CID 2964756) is 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
The InChIKey is NXVDEWZBNNBPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c27-22-11-13-23(14-12-22)34(31,32)25-26(33-24(28-25)21-9-5-2-6-10-21)30-17-15-29(16-18-30)19-20-7-3-1-4-8-20/h1-14H,15-19H2.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole has a molecular weight of 477.56 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 2964756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).