5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole

C23H27N3O3S — CID 20934947

IUPAC5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)on1
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-21(19(16)4)25-10-12-26(13-11-25)30(27,28)23-15-20(9-8-17(23)2)22-14-18(3)24-29-22/h5-9,14-15H,10-13H2,1-4H3
InChIKeyNRRGSGVLLHOPLT-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.09
Rot. Bonds4

About 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole

5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole (PubChem CID 20934947) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
PubChem CID20934947
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)on1
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-21(19(16)4)25-10-12-26(13-11-25)30(27,28)23-15-20(9-8-17(23)2)22-14-18(3)24-29-22/h5-9,14-15H,10-13H2,1-4H3
InChIKeyNRRGSGVLLHOPLT-UHFFFAOYSA-N
XLogP4.09
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]-3-methyl-1,2-oxazole
CID 20935061
5-[4-(azepan-1-ylsulfonyl)-3-methylphenyl]-3-methyl-1,2-oxazole
CID 53094978
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
CID 53117882
5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50821719
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 3459018
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
CID 53117960
5-[3-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-4-methylphenyl]-3-methyl-1,2-oxazole
CID 20935020
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole (CID 20934947) is 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)on1.
What is the InChIKey of 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
The InChIKey is NRRGSGVLLHOPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-6-5-7-21(19(16)4)25-10-12-26(13-11-25)30(27,28)23-15-20(9-8-17(23)2)22-14-18(3)24-29-22/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole?
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole has a molecular weight of 425.55 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20934947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).