5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole

C20H29N5O3S — CID 52675581

IUPAC5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C20H29N5O3S/c1-17-19(21-20(28-17)18-6-4-3-5-7-18)16-23-10-14-25(15-11-23)29(26,27)24-12-8-22(2)9-13-24/h3-7H,8-16H2,1-2H3
InChIKeyVJTIUQFDLZQODY-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.26
Rot. Bonds5

About 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole

5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 52675581) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID52675581
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C20H29N5O3S/c1-17-19(21-20(28-17)18-6-4-3-5-7-18)16-23-10-14-25(15-11-23)29(26,27)24-12-8-22(2)9-13-24/h3-7H,8-16H2,1-2H3
InChIKeyVJTIUQFDLZQODY-UHFFFAOYSA-N
XLogP1.26
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(4-pentylsulfonylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 86936902
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 53053550
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577767
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 22577768
N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473
4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 20955738
4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53084876
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 52675581) is 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is VJTIUQFDLZQODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-17-19(21-20(28-17)18-6-4-3-5-7-18)16-23-10-14-25(15-11-23)29(26,27)24-12-8-22(2)9-13-24/h3-7H,8-16H2,1-2H3.
What are the key properties of 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 419.55 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 52675581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).