5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide

C12H7BrN2O3S — CID 53143253

IUPAC5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2ccsc2)no1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrN2O3S/c13-10-2-1-9(17-10)12(16)14-11-5-8(15-18-11)7-3-4-19-6-7/h1-6H,(H,14,16)
InChIKeyHMTVEYMIJVUDCM-UHFFFAOYSA-N
MW339.17 g/mol
LogP4.01
Rot. Bonds3

About 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide

5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide (PubChem CID 53143253) has the molecular formula C12H7BrN2O3S and a molecular weight of 339.17 g/mol. Its IUPAC name is 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
PubChem CID53143253
Molecular FormulaC12H7BrN2O3S
Molecular Weight339.17 g/mol
Exact Mass337.94
IUPAC Name5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2ccsc2)no1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrN2O3S/c13-10-2-1-9(17-10)12(16)14-11-5-8(15-18-11)7-3-4-19-6-7/h1-6H,(H,14,16)
InChIKeyHMTVEYMIJVUDCM-UHFFFAOYSA-N
XLogP4.01
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143283
3-fluoro-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143326
3-methoxy-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143279
3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143269
2-(3,5-dimethoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143312
5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
CID 53143297
2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 53143270
3-cyclopentyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143257
(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095095
(2R)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095096
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide (CID 53143253) is 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide is O=C(Nc1cc(-c2ccsc2)no1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide?
The InChIKey is HMTVEYMIJVUDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3S/c13-10-2-1-9(17-10)12(16)14-11-5-8(15-18-11)7-3-4-19-6-7/h1-6H,(H,14,16).
What are the key properties of 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide?
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide has a molecular weight of 339.17 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 53143253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).