3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

C17H24N4O3S — CID 3242432

IUPAC3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O3S/c1-14-17(15(2)24-19-14)25(22,23)18-8-9-20-10-12-21(13-11-20)16-6-4-3-5-7-16/h3-7,18H,8-13H2,1-2H3
InChIKeyATWJHPJPYZZVFT-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.39
Rot. Bonds6

About 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 3242432) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID3242432
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O3S/c1-14-17(15(2)24-19-14)25(22,23)18-8-9-20-10-12-21(13-11-20)16-6-4-3-5-7-16/h3-7,18H,8-13H2,1-2H3
InChIKeyATWJHPJPYZZVFT-UHFFFAOYSA-N
XLogP1.39
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 3242432) is 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is ATWJHPJPYZZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-14-17(15(2)24-19-14)25(22,23)18-8-9-20-10-12-21(13-11-20)16-6-4-3-5-7-16/h3-7,18H,8-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3242432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).