N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C16H18N4O4S — CID 166213767

IUPACN-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3ccon3)no2)c1
InChIInChI=1S/C16H18N4O4S/c1-16(2,3)20-25(21,22)13-6-4-5-11(9-13)15-17-14(19-24-15)10-12-7-8-23-18-12/h4-9,20H,10H2,1-3H3
InChIKeyCLDKPPYFBXSFRS-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.39
Rot. Bonds5

About N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 166213767) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID166213767
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3ccon3)no2)c1
InChIInChI=1S/C16H18N4O4S/c1-16(2,3)20-25(21,22)13-6-4-5-11(9-13)15-17-14(19-24-15)10-12-7-8-23-18-12/h4-9,20H,10H2,1-3H3
InChIKeyCLDKPPYFBXSFRS-UHFFFAOYSA-N
XLogP2.39
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 166213767) is N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3ccon3)no2)c1.
What is the InChIKey of N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is CLDKPPYFBXSFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-16(2,3)20-25(21,22)13-6-4-5-11(9-13)15-17-14(19-24-15)10-12-7-8-23-18-12/h4-9,20H,10H2,1-3H3.
What are the key properties of N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166213767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).