(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

C22H20F3N3O4S — CID 4807247

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H20F3N3O4S/c1-15-19(20(26-32-15)16-7-3-2-4-8-16)21(29)27-11-13-28(14-12-27)33(30,31)18-10-6-5-9-17(18)22(23,24)25/h2-10H,11-14H2,1H3
InChIKeyAMNSFUZXPVVXIQ-UHFFFAOYSA-N
MW479.48 g/mol
LogP3.82
Rot. Bonds4

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 4807247) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID4807247
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H20F3N3O4S/c1-15-19(20(26-32-15)16-7-3-2-4-8-16)21(29)27-11-13-28(14-12-27)33(30,31)18-10-6-5-9-17(18)22(23,24)25/h2-10H,11-14H2,1H3
InChIKeyAMNSFUZXPVVXIQ-UHFFFAOYSA-N
XLogP3.82
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 4807247) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is AMNSFUZXPVVXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c1-15-19(20(26-32-15)16-7-3-2-4-8-16)21(29)27-11-13-28(14-12-27)33(30,31)18-10-6-5-9-17(18)22(23,24)25/h2-10H,11-14H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 479.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4807247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).