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

C23H27N3O3S — CID 20935756

IUPAC3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2C)c1
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-21(12-16)26-11-10-25(15-19(26)4)30(27,28)23-14-20(9-8-17(23)2)22-13-18(3)24-29-22/h5-9,12-14,19H,10-11,15H2,1-4H3
InChIKeyWLGXMCBYVLRVMD-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.17
Rot. Bonds4

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

3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole (PubChem CID 20935756) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole
PubChem CID20935756
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2C)c1
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-21(12-16)26-11-10-25(15-19(26)4)30(27,28)23-14-20(9-8-17(23)2)22-13-18(3)24-29-22/h5-9,12-14,19H,10-11,15H2,1-4H3
InChIKeyWLGXMCBYVLRVMD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-1-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidine
CID 16025168
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716
1-(4-{4-[5-(3,4-Dimethyl-1,2-oxazol-5-YL)-2-methylbenzenesulfonyl]piperazin-1-YL}phenyl)ethan-1-one
CID 16025012
1-(3-Chlorophenyl)-4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]piperazine
CID 16025038
N-(3-Cyanophenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 16025156
2-Methyl-1-[2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]-2,3-dihydro-1H-indole
CID 16025211
N-[4-(Diethylamino)-2-methylphenyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 16025230
N-(4-Acetylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 16034714
1-(3-Methoxyphenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]piperazine
CID 16034718
N-Benzyl-N-methyl-4-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 20917415
1-(4-Fluorophenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]piperazine
CID 20935762
N-[3-(azepan-1-yl)propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole (CID 20935756) is 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole is Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2C)c1.
What is the InChIKey of 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole?
The InChIKey is WLGXMCBYVLRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-6-5-7-21(12-16)26-11-10-25(15-19(26)4)30(27,28)23-14-20(9-8-17(23)2)22-13-18(3)24-29-22/h5-9,12-14,19H,10-11,15H2,1-4H3.
What are the key properties of 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole?
3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole has a molecular weight of 425.55 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole is sourced from PubChem (CID 20935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).