5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide

C16H17N3O5S — CID 45492953

IUPAC5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide
SMILESCOc1cccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)c1
InChIInChI=1S/C16H17N3O5S/c1-10(2)19-25(20,21)14-8-7-13(23-14)16-17-15(18-24-16)11-5-4-6-12(9-11)22-3/h4-10,19H,1-3H3
InChIKeyLDPHXOZMCWCQDG-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.69
Rot. Bonds6

About 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide

5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide (PubChem CID 45492953) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide
PubChem CID45492953
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide
SMILESCOc1cccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)c1
InChIInChI=1S/C16H17N3O5S/c1-10(2)19-25(20,21)14-8-7-13(23-14)16-17-15(18-24-16)11-5-4-6-12(9-11)22-3/h4-10,19H,1-3H3
InChIKeyLDPHXOZMCWCQDG-UHFFFAOYSA-N
XLogP2.69
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-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

Related Compounds

3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole
CID 45495766
2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
CID 45494429
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963028
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110323025
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927578
4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 155539552

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide?
The IUPAC name of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide (CID 45492953) is 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide?
The canonical SMILES for 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide is COc1cccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)c1.
What is the InChIKey of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide?
The InChIKey is LDPHXOZMCWCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10(2)19-25(20,21)14-8-7-13(23-14)16-17-15(18-24-16)11-5-4-6-12(9-11)22-3/h4-10,19H,1-3H3.
What are the key properties of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide?
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylfuran-2-sulfonamide is sourced from PubChem (CID 45492953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).