5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide

C13H11N3O2S — CID 81170386

IUPAC5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCc3ccon3)cc2c1
InChIInChI=1S/C13H11N3O2S/c14-9-1-2-11-8(5-9)6-12(19-11)13(17)15-7-10-3-4-18-16-10/h1-6H,7,14H2,(H,15,17)
InChIKeyZCVASRNBGIQSEI-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds3

About 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide

5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 81170386) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID81170386
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCc3ccon3)cc2c1
InChIInChI=1S/C13H11N3O2S/c14-9-1-2-11-8(5-9)6-12(19-11)13(17)15-7-10-3-4-18-16-10/h1-6H,7,14H2,(H,15,17)
InChIKeyZCVASRNBGIQSEI-UHFFFAOYSA-N
XLogP2.40
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 79223728
5-amino-N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 61095308
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
CID 61093849
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
CID 81171002
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 81170386) is 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)NCc3ccon3)cc2c1.
What is the InChIKey of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ZCVASRNBGIQSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-9-1-2-11-8(5-9)6-12(19-11)13(17)15-7-10-3-4-18-16-10/h1-6H,7,14H2,(H,15,17).
What are the key properties of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81170386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).