5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide

C13H19N3O4S — CID 81176972

IUPAC5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
SMILESCC(C)(C)NCc1ccc(S(=O)(=O)NCc2ccon2)o1
InChIInChI=1S/C13H19N3O4S/c1-13(2,3)14-9-11-4-5-12(20-11)21(17,18)15-8-10-6-7-19-16-10/h4-7,14-15H,8-9H2,1-3H3
InChIKeyYMZJZQZIAIIFLZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.63
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide

5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide (PubChem CID 81176972) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
PubChem CID81176972
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
SMILESCC(C)(C)NCc1ccc(S(=O)(=O)NCc2ccon2)o1
InChIInChI=1S/C13H19N3O4S/c1-13(2,3)14-9-11-4-5-12(20-11)21(17,18)15-8-10-6-7-19-16-10/h4-7,14-15H,8-9H2,1-3H3
InChIKeyYMZJZQZIAIIFLZ-UHFFFAOYSA-N
XLogP1.63
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide 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 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide (CID 81176972) is 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide is CC(C)(C)NCc1ccc(S(=O)(=O)NCc2ccon2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
The InChIKey is YMZJZQZIAIIFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(2,3)14-9-11-4-5-12(20-11)21(17,18)15-8-10-6-7-19-16-10/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide is sourced from PubChem (CID 81176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).