[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C23H24FN3O5S — CID 4846811

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H24FN3O5S/c1-16-22(17(2)32-25-16)15-31-20-8-6-18(7-9-20)23(28)26-10-12-27(13-11-26)33(29,30)21-5-3-4-19(24)14-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyWFTTVUYHGLMZLD-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.16
Rot. Bonds6

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4846811) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID4846811
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H24FN3O5S/c1-16-22(17(2)32-25-16)15-31-20-8-6-18(7-9-20)23(28)26-10-12-27(13-11-26)33(29,30)21-5-3-4-19(24)14-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyWFTTVUYHGLMZLD-UHFFFAOYSA-N
XLogP3.16
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 4846811) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is Cc1noc(C)c1COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is WFTTVUYHGLMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-16-22(17(2)32-25-16)15-31-20-8-6-18(7-9-20)23(28)26-10-12-27(13-11-26)33(29,30)21-5-3-4-19(24)14-21/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 473.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4846811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).