5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C19H27N3O3S — CID 51245978

IUPAC5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(C)no3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-4-15(2)17-5-7-19(8-6-17)26(23,24)22-11-9-21(10-12-22)14-18-13-16(3)20-25-18/h5-8,13,15H,4,9-12,14H2,1-3H3
InChIKeyTVVXOLQIRCTPIG-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.00
Rot. Bonds6

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

5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 51245978) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID51245978
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(C)no3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-4-15(2)17-5-7-19(8-6-17)26(23,24)22-11-9-21(10-12-22)14-18-13-16(3)20-25-18/h5-8,13,15H,4,9-12,14H2,1-3H3
InChIKeyTVVXOLQIRCTPIG-UHFFFAOYSA-N
XLogP3.00
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306
5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060359
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51146569
3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 112815197
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142320
1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
CID 71189179
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55472136
(2S)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 9439886

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 51245978) is 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole is CCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(C)no3)CC2)cc1.
What is the InChIKey of 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is TVVXOLQIRCTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-15(2)17-5-7-19(8-6-17)26(23,24)22-11-9-21(10-12-22)14-18-13-16(3)20-25-18/h5-8,13,15H,4,9-12,14H2,1-3H3.
What are the key properties of 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 377.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 51245978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).