4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C17H22N4O4S — CID 110422964

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-13-3-5-16(6-4-13)26(23,24)19-17(22)21-9-7-20(8-10-21)12-15-11-14(2)25-18-15/h3-6,11H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyXQWIDQBFOUAEFS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.51
Rot. Bonds4

About 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110422964) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110422964
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-13-3-5-16(6-4-13)26(23,24)19-17(22)21-9-7-20(8-10-21)12-15-11-14(2)25-18-15/h3-6,11H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyXQWIDQBFOUAEFS-UHFFFAOYSA-N
XLogP1.51
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
CID 110328586
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 55412972
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide
CID 95134415
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
CID 47765427
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 110422964) is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is XQWIDQBFOUAEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-13-3-5-16(6-4-13)26(23,24)19-17(22)21-9-7-20(8-10-21)12-15-11-14(2)25-18-15/h3-6,11H,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110422964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).