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

C19H28N4O3S — CID 3236781

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O3S/c1-16-19(17(2)26-21-16)27(24,25)20-9-6-10-22-11-13-23(14-12-22)15-18-7-4-3-5-8-18/h3-5,7-8,20H,6,9-15H2,1-2H3
InChIKeyJSPUNBMBNNGCHH-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.78
Rot. Bonds8

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

N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3236781) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3236781
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O3S/c1-16-19(17(2)26-21-16)27(24,25)20-9-6-10-22-11-13-23(14-12-22)15-18-7-4-3-5-8-18/h3-5,7-8,20H,6,9-15H2,1-2H3
InChIKeyJSPUNBMBNNGCHH-UHFFFAOYSA-N
XLogP1.78
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3236781) is N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JSPUNBMBNNGCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-16-19(17(2)26-21-16)27(24,25)20-9-6-10-22-11-13-23(14-12-22)15-18-7-4-3-5-8-18/h3-5,7-8,20H,6,9-15H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 392.53 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3236781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).