3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide

C17H23N3O5S — CID 55683955

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C17H23N3O5S/c1-5-26(23,24)11-6-7-13(21)12(10-11)18-14(22)8-9-15-19-16(20-25-15)17(2,3)4/h6-7,10,21H,5,8-9H2,1-4H3,(H,18,22)
InChIKeyRMRHWNZVJXAEOM-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.44
Rot. Bonds6

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide (PubChem CID 55683955) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
PubChem CID55683955
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C17H23N3O5S/c1-5-26(23,24)11-6-7-13(21)12(10-11)18-14(22)8-9-15-19-16(20-25-15)17(2,3)4/h6-7,10,21H,5,8-9H2,1-4H3,(H,18,22)
InChIKeyRMRHWNZVJXAEOM-UHFFFAOYSA-N
XLogP2.44
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
CID 31618396
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30828774
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001782
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55678586
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135477
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide (CID 55683955) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc(C(C)(C)C)no2)c1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
The InChIKey is RMRHWNZVJXAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-5-26(23,24)11-6-7-13(21)12(10-11)18-14(22)8-9-15-19-16(20-25-15)17(2,3)4/h6-7,10,21H,5,8-9H2,1-4H3,(H,18,22).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide has a molecular weight of 381.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 55683955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).